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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Scalable Risk Assessment of Rare Events in Power Systems With Uncertain Wind Generation and Loads

Risk assessment of rare events has become increasingly important in power system planning and operation with the increasing integration of renewable energy and the presence of system uncertainties. However, quantifying the risk posed by rare events via the traditional method, i.e., Monte Carlo sampling (MCS), incurs substantial computational expense stemming from the vast ensemble of power flow simulations. To accelerate the assessment, this paper proposes a Deep Neural Network (DNN)-kernelized vector-valued Gaussian Process (VVGP) approach with excellent computational efficiency while maintaining high accuracy. Consequently, serving as a surrogate model for the power flow solver, the DNN-kernelized VVGP enables significantly faster but accurate risk assessment compared to the power flow solver. The developed surrogate model evaluates low-order N - k events that contain more than 90% instances by adeptly capturing the topological features while the high-order N - k events are assessed via a power flow solver, thereby striking a balance between computational efficiency and uncertainty quantification accuracy. Moreover, the model incorporates a Support Vector Machine (SVM) classifier to resample concerning low-probability tail events to counteract the biases potentially introduced during the DNN-kernelized VVGP evaluations. Simulations conducted on the modified IEEE 24-bus, 118-bus, and European 1354-bus systems demonstrate that the proposed method maintains the accuracy benchmark set by MCS while significantly reducing computational demands in large-scale power systems as compared to other state-of-the-art methods.

17 WIND ENERGY↗
DOE OSTI2023

Trustworthy Physics-Informed Deep Learning for Predictive Scientific Computing

This project has developed powerful trustworthy physics-informed deep learning (TPiDL) models and methods to fundamentally enhance the scale and power of computational modeling in the scientific and engineering domains. Deep learning (DL) has radically advanced the state-of-the-art in machine learning, computer vision, natural language processing, and also scientific computing. Nevertheless, progress has been driven almost entirely by empirical observations, hacks, and tricks. Under the support of this project, the graph operator learning tools and advanced trustworthy physical informed neural networks have been developed. In addition, stochastic gradient replica-exchange Markov Chain Monte Carlo (MCMC) sampling algorithms have been designed to quantify the uncertainties and speed up the training of large-scale neural networks.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2022

A Deep Learning Approach to Fast Radiative Transfer

Due to the sheer volume of data, leveraging satellite instrument observations effectively in a data assimilation context for numerical weather prediction or for remote sensing requires a radiative transfer model as an observation operator that is both fast and accurate at the same time. Physics-based line-by-line radiative transfer (RT) models fulfil the requirement for accuracy, but are too slow and too costly in computational terms for operational applications. Therefore, fast methods were developed to be able to perform fast RT calculations using techniques such as spectral sampling or pre-computed look-up tables. The operational fast models currently calculate the absorption and scattering coefficients from the pre-computed regression coefficients and atmospheric state and cloud profiles. As a novel solution to this problem, this work investigates a deep learning approach to replace the regression coefficients in the fast RT models. A selection of hidden-layer neural network configurations is trained against atmospheric transmittance profile data computed by an accurate line-by-line model and their performance is evaluated and their advantages and disadvantages are discussed.

Machine learning↗
DOE OSTI2025

Acceleration of Power System Dynamic Simulations Using a Deep Equilibrium Layer and Neural ODE Surrogate

The dominant paradigm for power system dynamic simulation is to build system-level simulations by combining physics-based models of individual components. The sheer size of the system along with the rapid integration of inverter-based resources exacerbates the computational burden of running time domain simulations. Here, in this paper, we propose a data-driven surrogate model based on implicit machine learningspecifically deep equilibrium layers and neural ordinary differential equationsto learn a reduced order model of a portion of the full underlying system. The data-driven surrogate achieves similar accuracy and reduction in simulation time compared to a physics-based surrogate, without the constraint of requiring detailed knowledge of the underlying dynamic models. This work also establishes key requirements needed to integrate the surrogate into existing simulation workflows; the proposed surrogate is initialized to a steady state operating point that matches the power flow solution by design.

Neural ordinary differential equations↗
DOE OSTI2026

Applications Of Machine Learning to Gas Plume Analysis In Longwave Infrared Hyperspectral Images

Longwave infrared hyperspectral images can be used for gas plume analysis, as many gases exhibit distinct absorption features in this portion of the electromagnetic spectrum. In practice, accurately identifying weak gas signatures is difficult because the observed radiance is dominated by background radiance, which varies with material, temperature, and viewing conditions. Many gas plume analysis pipelines operate on single images, limiting the ability to leverage spatial and multi-view information that could enhance the analysis. The goal of this dissertation is to explore how machine learning and deep learning methods can complement classical approaches to improve gas plume identification in longwave infrared hyperspectral imagery, and to investigate the use of neural radiance fields for hyperspectral scene reconstruction.

3D Scene Reconstruction↗
DOE OSTI2020

Enabling Highly Efficient Capsule Networks Processing Through A PIM-Based Architecture Design

In recent years, the CNNs have achieved great successes in the image processing tasks, e.g., image recognition and object detection. Unfortunately, traditional CNN's classication is found to be easily misled by increasingly complex image features due to the usage of pooling operations, hence unable to preserve accurate position and pose information of the objects. To address this challenge, a novel neural network structure called Capsule Network has been proposed, which introduces equivariance through capsules to signicantly enhance the learning ability for image segmentation and object detection. Due to its requirement of performing a high volume of matrix operations, CapsNets have been generally accelerated on modern GPU platforms that provide highly optimized software library for common deep learning tasks. However, based on our performance characterization on modern GPUs, CapsNets exhibit low effciency due to the special program and execution features of their routing procedure, including massive unshareable intermediate variables and intensive syn- chronizations, which are very dicult to optimize at software level. To address these challenges, we propose a hybrid computing architecture design named PIM-CapsNet. It preserves GPU's on-chip computing capability for accelerating CNN types of layers in CapsNet, while pipelining with an off-chip in-memory acceleration solution that effectively tackles routing procedure's ineffciency by leveraging the processing-in-memory capability of today's 3D stacked memory. Using routing procedure's inherent parallellization feature, our design enables hierarchical improvements on CapsNet inference effciency through minimizing data movement and maximizing parallel processing in memory. Evaluation results demonstrate that our proposed design can achieve substantial improvement on both performance and energy savings for CapsNet inference, with almost zero accuracy loss. The results also suggest good performance scalability in optimizing the routing procedure with increasing network size.

Zhang, Xingyao↗
DOE OSTI2021

Fully Convolutional Spatio-Temporal Models for Representation Learning in Plasma Science

We have trained a fully convolutional spatio-temporal model for fast and accurate representation learning in the challenging exemplar application area of fusion energy plasma science. The onset of major disruptions is a critically important fusion energy science issue that must be resolved for advanced tokamak plasmas such as the $25B burning plasma international thermonuclear experimental reactor (ITER) experiment. While a variety of statistical methods have been used to address the problem of tokamak disruption prediction and control, recent approaches based on deep learning have proven particularly compelling. In the present paper, we introduce further improvements to the fusion recurrent neural network (FRNN) software suite, which delivered cross-machine disruption predictions with unprecedented accuracy using a large database of experimental signals from two major tokamaks. Up to now, FRNN was based on the long short-term memory (LSTM) variant of recurrent neural networks to leverage the temporal information in the data. Here, we implement and apply the "temporal convolutional neural network (TCN)" architecture to the time-dependent input signals. Furthermore, this allows highly optimized convolution operations to carry the majority of the computational load of training, thus enabling a reduction in training time, and the effective use of high-performance computing resources for hyperparameter tuning. At the same time, the TCN-based architecture achieves better predictive performance when compared with the LSTM architecture for various tasks for a representative fusion database.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

A Deep Neural Network for Accurate and Robust Prediction of the Glass Transition Temperature of Polyhydroxyalkanoate Homo- and Copolymers

The purpose of this study was to develop a data-driven machine learning model to predict the performance properties of polyhydroxyalkanoates (PHAs), a group of biosourced polyesters featuring excellent performance, to guide future design and synthesis experiments. A deep neural network (DNN) machine learning model was built for predicting the glass transition temperature, Tg, of PHA homo- and copolymers. Molecular fingerprints were used to capture the structural and atomic information of PHA monomers. The other input variables included the molecular weight, the polydispersity index, and the percentage of each monomer in the homo- and copolymers. The results indicate that the DNN model achieves high accuracy in estimation of the glass transition temperature of PHAs. In addition, the symmetry of the DNN model is ensured by incorporating symmetry data in the training process. The DNN model achieved better performance than the support vector machine (SVD), a nonlinear ML model and least absolute shrinkage and selection operator (LASSO), a sparse linear regression model. The relative importance of factors affecting the DNN model prediction were analyzed. Sensitivity of the DNN model, including strategies to deal with missing data, were also investigated. Compared with commonly used machine learning models incorporating quantitative structure–property (QSPR) relationships, it does not require an explicit descriptor selection step but shows a comparable performance. The machine learning model framework can be readily extended to predict other properties.

quantitative structure–property relationship (QSPR↗
DOE OSTI2024

The Zwicky Transient Facility Bright Transient Survey. III. BTSbot: Automated Identification and Follow-up of Bright Transients with Deep Learning

Abstract The Bright Transient Survey (BTS) aims to obtain a classification spectrum for all bright ( m peak ≤ 18.5 mag) extragalactic transients found in the Zwicky Transient Facility (ZTF) public survey. BTS critically relies on visual inspection (“scanning”) to select targets for spectroscopic follow-up, which, while effective, has required a significant time investment over the past ∼5 yr of ZTF operations. We present BTSbot , a multimodal convolutional neural network, which provides a bright transient score to individual ZTF detections using their image data and 25 extracted features. BTSbot is able to eliminate the need for daily human scanning by automatically identifying and requesting spectroscopic follow-up observations of new bright transient candidates. BTSbot recovers all bright transients in our test split and performs on par with scanners in terms of identification speed (on average, ∼1 hr quicker than scanners). We also find that BTSbot is not significantly impacted by any data shift by comparing performance across a concealed test split and a sample of very recent BTS candidates. BTSbot has been integrated into Fritz and Kowalski , ZTF’s first-party marshal and alert broker, and now sends automatic spectroscopic follow-up requests for the new transients it identifies. Between 2023 December and 2024 May, BTSbot selected 609 sources in real time, 96% of which were real extragalactic transients. With BTSbot and other automation tools, the BTS workflow has produced the first fully automatic end-to-end discovery and classification of a transient, representing a significant reduction in the human time needed to scan.

Rehemtulla, Nabeel (ORCID:0000000256832389)↗
DOE OSTI2024

Efficient and generalizable nested Fourier-DeepONet for three-dimensional geological carbon sequestration

Geological carbon sequestration (GCS) involves injecting CO2 into subsurface geological formationsfor permanent storage. Numerical simulations could guide decisions in GCS projects by predictingCO 2 migration pathways and the pressure distribution in storage formation. However, these simula-tions are often computationally expensive due to highly coupled physics and large spatial-temporalsimulation domains. Surrogate modelling with data-driven machine learning has become a promis-ing alternative to accelerate physics-based simulations. Among these, the Fourier neural operator(FNO) has been applied to three-dimensional synthetic subsurface models. Despite its good accuracyin simulating CO 2 plume migration, it requires large computational resources in training and alsolacks generalizability. Here, to further improve performance, we have developed a nested Fourier-DeepONet by combining the expressiveness of the FNO with the modularity of a deep operatornetwork (DeepONet). This new framework is twice as efficient as a nested FNO for training and has atleast 80% lower GPU memory requirement due to its flexibility to treat temporal coordinates sepa-rately. These performance improvements are achieved without compromising prediction accuracy.In addition, the generalization and extrapolation ability of nested Fourier-DeepONet beyond thetraining range has been thoroughly evaluated. Nested Fourier-DeepONet outperformed the nestedFNO for extrapolation in time with more than 50% reduced error. It also exhibited good extrapolationaccuracy beyond the training range in terms of reservoir properties, number of wells, and injectionrate.

Lee, Jonathan E. [Department of Chemical and Envir↗
NASA NTRS2018

Automated Pneumothorax Diagnosis using Deep Neural Networks

Thoracic ultrasound can provide information leading to rapid diagnosis of pneumothorax with improved accuracy over the standard physical examination and with higher sensitivity than anteroposterior chest radiography. However, the clinical We have Furthermore, remote environments, such as the battlefield or deep-space exploration, may lack expertise for diagnosing developed an automated image interpretation pipeline for the analysis of thoracic ultrasound data and the classification of pneumothorax events to provide decision support in such situations. Our pipeline consists of image preprocessing, data augmentation, and deep learning architectures for medical diagnosis. In this work, we demonstrate that robust, accurate interpretation of chest images and video can be achieved using deep neural networks. A number of novel image processing techniques were employed to achieve this result. Affine transformations were applied for data augmentation. Hyperparameters were optimized for learning rate, dropout regularization, batch size, and epoch iteration by a sequential model-based Bayesian approach. In addition, we utilized pretrained architecturesinterpretation of a patient medical image is highly operator dependent. certain pathologies., applying transfer learning and fine-tuning techniques to fully connected layers. Our pipeline yielded binary classification validation accuracies of 98.3% for M-mode images and 99.8% with B-mode video frames.

US Army collaboration↗
NASA NTRSDate not supplied

Enabling Interoperability in Earth System Digital Twins (ESDT): Integrating Observations, Models, and AI for Actionable Insights Through NASA'S Intelligent Systems Technology Program

NASA’s Intelligent Systems Technology Program (IST) is driving a paradigm shift in Earth science through the development of Earth System Digital Twins (ESDT). These integrated information systems create a dynamic "digital replica" of the Earth by harmonizing continuous, multi-source observations with high-fidelity models and state-of-the-art artificial intelligence (AI) that enable “What now?”, “What next?”, and “What if?” scenario building. These scenarios are reflected in NASA IST’s series of ESDTs, from the Coastal Zone Digital Twin that integrates complex data on the current state of the Chesapeake Bay to the Terrestrial Environmental Rapid-Replication and Assimilation Hydrometeorological (TerraHydro) AI-based ESDT that forecasts water movement across Earth’s surface, to the Agriculture Land Information System (AgLIS) which can be used to assess optimal planting dates and crop yield estimates. By bridging the gap between vast data archives and actionable insights, these projects enable a system-of-systems approach to understanding complex, interacting Earth processes. This poster will highlight recent innovations and future directions from NASA’s ESDT initiatives: Continuous Data Assimilation & Multi-Source Fusion. A core requirement of the ESDT work is the transition from static models to dynamic "living" replicas. This involves creating frameworks for the continual assimilation of near-real-time data from uncoordinated, heterogeneous sources, including satellite observations and airborne assets, and ground-based Internet of Things (IoT) sensors. These systems link design, operational status, and environmental data, ensuring the digital twin accurately reflects the current state of the physical Earth system. High-Fidelity Hybrid Modeling & Computational Acceleration to enable interactive "what-if" explorations, programs are moving beyond traditional, slow physical solvers by developing fast surrogate machine learning models and Deep Generative Models (DGMs). These hybrid approaches use neural networks to emulate complex physics, such as cloud feedback or ocean dynamics, at a fraction of the original computing cost, often leveraging advanced hardware like Graphics Processing Units (GPUs) to achieve the necessary scale. Federated Ecosystems & Interoperable Frameworks rather than building isolated tools, NASA IST is moving toward federated ESDTs and reusable analytic collaborative frameworks. This theme focuses on interoperability standards and common ontologies that allow specialized digital twins to interact and share data. This system-of-systems architecture supports multi-discipline investigations, such as analyzing how upstream watershed changes impact downstream urban flooding or how wildfire emissions affect regional air quality. By leveraging these advancements, ESDTs empower researchers and decision-makers to conduct real-time analysis and run complex hypothetical scenarios, ultimately improving our understanding of Earth’s evolving systems and informing critical real-world applications.

Earth System↗
DOE OSTI2022

PRODeepSyn: predicting anticancer synergistic drug combinations by embedding cell lines with protein–protein interaction network

Abstract Although drug combinations in cancer treatment appear to be a promising therapeutic strategy with respect to monotherapy, it is arduous to discover new synergistic drug combinations due to the combinatorial explosion. Deep learning technology holds immense promise for better prediction of in vitro synergistic drug combinations for certain cell lines. In methods applying such technology, omics data are widely adopted to construct cell line features. However, biological network data are rarely considered yet, which is worthy of in-depth study. In this study, we propose a novel deep learning method, termed PRODeepSyn, for predicting anticancer synergistic drug combinations. By leveraging the Graph Convolutional Network, PRODeepSyn integrates the protein–protein interaction (PPI) network with omics data to construct low-dimensional dense embeddings for cell lines. PRODeepSyn then builds a deep neural network with the Batch Normalization mechanism to predict synergy scores using the cell line embeddings and drug features. PRODeepSyn achieves the lowest root mean square error of 15.08 and the highest Pearson correlation coefficient of 0.75, outperforming two deep learning methods and four machine learning methods. On the classification task, PRODeepSyn achieves an area under the receiver operator characteristics curve of 0.90, an area under the precision–recall curve of 0.63 and a Cohen’s Kappa of 0.53. In the ablation study, we find that using the multi-omics data and the integrated PPI network’s information both can improve the prediction results. Additionally, the case study demonstrates the consistency between PRODeepSyn and previous studies.

Wang, Xiaowen↗
DOE OSTI2022

Machine-Learning of Nonlocal Kernels for Anomalous Subsurface Transport from Breakthrough Curves

Anomalous behavior is ubiquitous in subsurface solute transport due to the presence of high degrees of heterogeneity at different scales in the media. Although fractional models have been extensively used to describe the anomalous transport in various subsurface applications, their application is hindered by computational challenges. Simpler nonlocal models characterized by integrable kernels and finite interaction length represent a computationally feasible alternative to fractional models; yet, the informed choice of their kernel functions still remains an open problem. We propose a general data-driven framework for the discovery of optimal kernels on the basis of very small and sparse data sets in the context of anomalous subsurface transport. Using spatially sparse breakthrough curves recovered from fine-scale particle-density simulations, we learn the best coarse-scale nonlocal model using a nonlocal operator regression technique. Predictions of the breakthrough curves obtained using the optimal nonlocal model show good agreement with fine-scale simulation results even at locations and time intervals different from the ones used to train the kernel, confirming the excellent generalization properties of the proposed algorithm. A comparison with trained classical models and with black-box deep neural networks confirms the superiority of the predictive capability of the proposed model.

97 MATHEMATICS AND COMPUTING↗
NASA NTRSDate not supplied

Runway Sign Classifier: A DAL C Certifiable Machine Learning System

In recent years, the remarkable progress of Machine Learning (ML) technologies within the domain of Artificial Intelligence (AI) systems has presented unprecedented opportunities for the aviation industry, paving the way for further advancements in automation, including the potential for single pilot or fully autonomous operation of large commercial airplanes. However, ML technology faces major incompatibilities with existing airborne certification standards, such as ML model traceability and explainability issues or the inadequacy of traditional coverage metrics. Certification of ML-based airborne systems using current standards is problematic due to these challenges. This paper presents a case study of an airborne system utilizing a Deep Neural Network (DNN) for airport sign detection and classification. Building upon our previous work, which demonstrates compliance with Design Assurance Level (DAL) ”D”, we upgrade the system to meet the more stringent requirements of Design Assurance Level ”C”. To achieve DAL C, we employ an established architectural mitigation technique involving two redundant and dissimilar Deep Neural Networks. The application of novel ML-specific data management techniques further enhances this approach. This work is intended to illustrate how the certification challenges of ML-based systems can be addressed for medium criticality airborne applications.

Flight Software↗
DOE OSTI2021

IoT Intrusion Detection Taxonomy, Reference Architecture, and Analyses

This paper surveys the deep learning (DL) approaches for intrusion-detection systems (IDSs) in Internet of Things (IoT) and the associated datasets toward identifying gaps, weaknesses, and a neutral reference architecture. A comparative study of IDSs is provided, with a review of anomaly-based IDSs on DL approaches, which include supervised, unsupervised, and hybrid methods. All techniques in these three categories have essentially been used in IoT environments. To date, only a few have been used in the anomaly-based IDS for IoT. For each of these anomaly-based IDSs, the implementation of the four categories of feature(s) extraction, classification, prediction, and regression were evaluated. We studied important performance metrics and benchmark detection rates, including the requisite efficiency of the various methods. Four machine learning algorithms were evaluated for classification purposes: Logistic Regression (LR), Support Vector Machine (SVM), Decision Tree (DT), and an Artificial Neural Network (ANN). Therefore, we compared each via the Receiver Operating Characteristic (ROC) curve. The study model exhibits promising outcomes for all classes of attacks. The scope of our analysis examines attacks targeting the IoT ecosystem using empirically based, simulation-generated datasets (namely the Bot-IoT and the IoTID20 datasets).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Variational encoder geostatistical analysis (VEGAS) with an application to large scale riverine bathymetry

Estimation of riverbed profiles, also known as bathymetry, plays a vital role in many applications, such as safe and efficient inland navigation, prediction of bank erosion, land subsidence, and flood risk management. The high cost and complex logistics of direct bathymetry surveys, i.e, depth imaging, have encouraged the use of indirect measurements such as surface flow velocities. However, estimating high-resolution bathymetry from indirect measurements is an inverse problem that can be computationally challenging. Here, we propose a reduced-order model (ROM) based approach that utilizes a variational autoencoder (VAE), a type of deep neural network with a narrow layer in the middle, to compress bathymetry and flow velocity information and accelerate bathymetry inverse problems from flow velocity measurements. In our application, the shallow-water equations (SWE) with appropriate boundary conditions (BCs), e.g., the discharge and/or the free surface elevation, constitute the forward problem, to predict flow velocity. Then, ROMs of the SWEs are constructed on a nonlinear manifold of low dimensionality through a variational encoder and the bathymetry inversion problem is derived on the low-dimensional latent space in a Hierarchical Bayesian setting. Further, the reformulation allows variational inference with a small number (e.g., $\mathscr{O}$ (100) of ROM runs and efficient uncertainty quantification. We have tested our inversion approach on a one-mile reach of the Savannah River, GA, USA. Once the neural network is trained (offline stage), the proposed technique can perform the inversion operation orders of magnitude faster than traditional inversion methods that are commonly based on linear projections, such as principal component analysis (PCA), or the principal component geostatistical approach (PCGA). Furthermore, tests show that the algorithm can estimate the bathymetry with good accuracy even with sparse flow velocity measurements.

54 ENVIRONMENTAL SCIENCES↗