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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Towards physics-inspired data-driven weather forecasting: integrating data assimilation with a deep spatial-transformer-based U-NET in a case study with ERA5

Abstract. There is growing interest in data-driven weather prediction (DDWP), e.g., using convolutional neural networks such as U-NET that are trained on data from models or reanalysis. Here, we propose three components, inspired by physics, to integrate with commonly used DDWP models in order to improve their forecast accuracy. These components are (1) a deep spatial transformer added to the latent space of U-NET to capture rotation and scaling transformation in the latent space for spatiotemporal data, (2) a data-assimilation (DA) algorithm to ingest noisy observations and improve the initial conditions for next forecasts, and (3) a multi-time-step algorithm, which combines forecasts from DDWP models with different time steps through DA, improving the accuracy of forecasts at short intervals. To show the benefit and feasibility of each component, we use geopotential height at 500 hPa (Z500) from ERA5 reanalysis and examine the short-term forecast accuracy of specific setups of the DDWP framework. Results show that the spatial-transformer-based U-NET (U-STN) clearly outperforms the U-NET, e.g., improving the forecast skill by 45 %. Using a sigma-point ensemble Kalman (SPEnKF) algorithm for DA and U-STN as the forward model, we show that stable, accurate DA cycles are achieved even with high observation noise. This DDWP+DA framework substantially benefits from large (O(1000)) ensembles that are inexpensively generated with the data-driven forward model in each DA cycle. The multi-time-step DDWP+DA framework also shows promise; for example, it reduces the average error by factors of 2–3. These results show the benefits and feasibility of these three components, which are flexible and can be used in a variety of DDWP setups. Furthermore, while here we focus on weather forecasting, the three components can be readily adopted for other parts of the Earth system, such as ocean and land, for which there is a rapid growth of data and need for forecast and assimilation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Identifying atmospheric rivers and their poleward latent heat transport with generalizable neural networks: ARCNNv1

Abstract. Atmospheric rivers (ARs) are extreme weather events that can alleviate drought or cause billions of US dollars in flood damage. By transporting significant amounts of latent energy towards the poles, they are crucial to maintaining the climate system's energy balance. Since there is no first-principle definition of an AR grounded in geophysical fluid mechanics, AR identification is currently performed by a multitude of expert-defined, threshold-based algorithms. The variety of AR detection algorithms has introduced uncertainty into the study of ARs, and the thresholds of the algorithms may not generalize to new climate datasets and resolutions. We train convolutional neural networks (CNNs) to detect ARs while representing this uncertainty; we name these models ARCNNs. To detect ARs without requiring new labeled data and labor-intensive AR detection campaigns, we present a semi-supervised learning framework based on image style transfer. This framework generalizes ARCNNs across climate datasets and input fields. Using idealized and realistic numerical models, together with observations, we assess the performance of the ARCNNs. We test the ARCNNs in an idealized simulation of a shallow-water fluid in which nearly all the tracer transport can be attributed to AR-like filamentary structures. In reanalysis and a high-resolution climate model, we use ARCNNs to calculate the contribution of ARs to meridional latent heat transport, and we demonstrate that this quantity varies considerably due to AR detection uncertainty.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Improving Variational Autoencoders for New Physics Detection at the LHC With Normalizing Flows

We investigate how to improve new physics detection strategies exploiting variational autoencoders and normalizing flows for anomaly detection at the Large Hadron Collider. As a working example, we consider the DarkMachines challenge dataset. We show how different design choices (e.g., event representations, anomaly score definitions, network architectures) affect the result on specific benchmark new physics models. Once a baseline is established, we discuss how to improve the anomaly detection accuracy by exploiting normalizing flow layers in the latent space of the variational autoencoder.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Automated System-wide Event Detection and Classification Using Machine Learning on Synchrophasor Data

As the number of phasor measurement units (PMUs) deployed in a power system increases, and their data volume streamed to the control canter intensifies, operators are facing challenges related to the analysis of such data, which need to be observed and responded to as the measurements are displayed in the Control Room. Humans are generally unable to process such large amount of data efficiently and rapidly. There is an apparent need for automated ways to analyze the data, extract actionable information about occurrence of specific events, and characterize the events quickly and cost effectively. This paper discusses the use of machine learning (ML) to facilitate such tasks by providing automated, highly computationally efficient, and cost-effective ways of extracting actionable information from synchrophasor big data in real-time. We developed Big Data Smart (BDSmart) ML-based prototype tool for the Control Room use that automatically analyses data properties from synchrophasor system measurements taken across the three grid Interconnections in the USA (Western, Eastern and ERCOT). The data collected from several hundreds of PMUs located across the Interconnections over a period of two years have been made available for our extensive study. As a result, we were able to identify a number of big data properties that influence how ML methodology is applied to select, develop, train and test the data models that can eventually be used for the tool implementation. The resulting set of candidate algorithms spans unsupervised, supervised, semi-supervised and transfer-learning approaches. Many ML techniques, such as decision trees, multinomial logistic regression, feed-forward neural networks, K-nearest neighbor, multiclass support vector machine, and single and multi-channel convolutional neural networks, are implemented, and their performance is examined. We offer the results from testing the data models. The novelty of our study is in the approaches for bad data detection and mitigation, selection of a simplified feature for event detection, and data label improvements. As a result, we came up with a list of recommendations for the utilities on how to improve the PMU recording practices to cater to the future ML applications aimed at automating the analysis of synchrophasor data.

Synchrophasors, Machine Learning, System-wide Even↗
DOE OSTI2022

Physics-informed Machine Learning for Modeling Turbulence in Supernovae

Abstract Turbulence plays an important role in astrophysical phenomena, including core-collapse supernovae (CCSNe), but current simulations must rely on subgrid models, since direct numerical simulation is too expensive. Unfortunately, existing subgrid models are not sufficiently accurate. Recently, machine learning (ML) has shown an impressive predictive capability for calculating turbulence closure. We have developed a physics-informed convolutional neural network to preserve the realizability condition of the Reynolds stress that is necessary for accurate turbulent pressure prediction. The applicability of the ML subgrid model is tested here for magnetohydrodynamic turbulence in both the stationary and dynamic regimes. Our future goal is to utilize this ML methodology (available on GitHub) in the CCSN framework to investigate the effects of accurately modeled turbulence on the explosion of these stars.

79 ASTRONOMY AND ASTROPHYSICS↗
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 OSTI2023

Scaling Resolution of Gigapixel Whole Slide Images Using Spatial Decomposition on Convolutional Neural Networks

Gigapixel images are prevalent in scientific domains ranging from remote sensing, and satellite imagery to microscopy, etc. However, training a deep learning model at the natural resolution of those images has been a challenge in terms of both, overcoming the resource limit (e.g. HBM memory constraints), as well as scaling up to a large number of GPUs. In this paper, we trained Residual neural Networks (ResNet) on 22,528 x 22,528-pixel size images using a distributed spatial decomposition method on 2,304 GPUs on the Summit Supercomputer. We applied our method on a Whole Slide Imaging (WSI) dataset from The Cancer Genome Atlas (TCGA) database. WSI images can be in the size of 100,000 x 100,000 pixels or even larger, and in this work we studied the effect of image resolution on a classification task, while achieving state-of-the-art AUC scores. Moreover, our approach doesn't need pixel-level labels, since we're avoiding patching from the WSI images completely, while adding the capability of training arbitrary large-size images. This is achieved through a distributed spatial decomposition method, by leveraging the non-block fat-tree interconnect network of the Summit architecture, which enabled GPU-to-GPU direct communication. Finally, detailed performance analysis results are shown, as well as a comparison with a data-parallel approach when possible.

Tsaris, Aristeidis (aris)↗
DOE OSTI2022

Frame invariant neural network closures for Kraichnan turbulence

Numerical simulations of geophysical and atmospheric flows have to rely on parameterizations of subgrid scale processes due to their limited spatial resolution. Despite substantial progress in developing parameterization (or closure) models for subgrid scale (SGS) processes using physical insights and mathematical approximations, they remain imperfect and can lead to inaccurate predictions. In recent years, machine learning has been successful in extracting complex patterns from high-resolution spatio-temporal data, leading to improved parameterization models, and ultimately better coarse grid prediction. However, the inability to satisfy known physics and poor generalization hinders the application of these models for real-world problems. In this work, we put forth a frame invariant closure approach to improve the accuracy and generalizability of deep learning-based subgrid scale closure models by embedding physical symmetries directly into the structure of the neural network. Specifically, we utilized specialized layers within the convolutional neural network in such a way that desired constraints are theoretically guaranteed without the need for any regularization terms. We demonstrate our framework for a two-dimensional decaying turbulence test case mostly characterized by the forward enstrophy cascade. We show that our frame invariant SGS model (i) accurately predicts the subgrid scale source term, (ii) respects the physical symmetries such as translation, Galilean, and rotation invariance, and (iii) is numerically stable when implemented in coarse-grid simulation with generalization to different initial conditions and Reynolds number. This work opens up a possibility of connecting physics-based theories and data-driven modeling paradigms, and thus represents a promising step towards the development of physically consistent data-driven turbulence closure models.

42 ENGINEERING↗
DOE OSTI2025

Evaluation of data driven low-rank matrix factorization for accelerated solutions of the Vlasov equation

Low-rank methods have shown success in accelerating simulations of a collisionless plasma described by the Vlasov equation, but still rely on computationally costly linear algebra every time step. We propose a data-driven factorization method using artificial neural networks, specifically with convolutional layer architecture, that trains on existing simulation data. At inference time, the model outputs a low-rank decomposition of the distribution field of the charged particles, and we demonstrate that this step is faster than the standard linear algebra technique. Numerical experiments show that the method achieves comparable reconstruction accuracy for interpolation tasks, generalizing to unseen test data in a manner beyond just memorizing training data; patterns in factorization also inherently followed the same numerical trend as those within algebraic methods (e.g., truncated singular-value decomposition). However, when training on the first 70% of a time-series data and testing on the remaining 30%, the method fails to meaningfully extrapolate. Despite this limiting result, the technique may have benefits for simulations in a statistical steady-state or otherwise showing temporal stability. These results suggest that while the model offers a computationally efficient alternative for datasets with temporal stability, its current formulation is best suited for interpolation rather than for predicting future states in time-evolving systems. This study thus lays the groundwork for further refinement of neural network-based approaches to low-rank matrix factorization in high-dimensional plasma simulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Visualizing strange metallic correlations in the two-dimensional Fermi-Hubbard model with artificial intelligence

Strongly correlated phases of matter are often described in terms of straightforward electronic patterns. This has so far been the basis for studying the Fermi-Hubbard model realized with ultracold atoms. Here, we show that artificial intelligence (AI) can provide an unbiased alternative to this paradigm for phases with subtle, or even unknown, patterns. Long- and short-range spin correlations spontaneously emerge in filters of a convolutional neural network trained on snapshots of single atomic species. In the less well-understood strange metallic phase of the model, we find that a more complex network trained on snapshots of local moments produces an effective order parameter for the non-Fermi-liquid behavior. We report our technique can be employed to characterize correlations unique to other phases with no obvious order parameters or signatures in projective measurements, and has implications for science discovery through AI beyond strongly correlated systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Identifying the nature of the QCD transition in heavy-ion collisions with deep learning

In this proceeding, we review our recent work using deep convolutional neural network (CNN) to identify the nature of the QCD transition in a hybrid modeling of heavy-ion collisions. Within this hybrid model, a viscous hydrodynamic model is coupled with a hadronic cascade “after-burner”. As a binary classification setup, we employ two different types of equations of state (EoS) of the hot medium in the hydrodynamic evolution. The resulting final-state pion spectra in the transverse momentum and azimuthal angle plane are fed to the neural network as the input data in order to distinguish different EoS. To probe the effects of the fluctuations in the event-by-event spectra, we explore different scenarios for the input data and make a comparison in a systematic way. We observe a clear hierarchy in the predictive power when the network is fed with the event-by-event, cascade-coarse-grained and event-fine-averaged spectra. The carefully-trained neural network can extract high-level features from pion spectra to identify the nature of the QCD transition in a realistic simulation scenario.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Efficient Distributed Sequence Parallelism for Transformer-Based Image Segmentation

We introduce an efficient distributed sequence parallel approach for training transformer-based deep learning image segmentation models. The neural network models are comprised of a combination of a Vision Transformer encoder with a convolutional decoder to provide image segmentation mappings. The utility of the distributed sequence parallel approach is especially useful in cases where the tokenized embedding representation of image data are too large to fit into standard computing hardware memory. To demonstrate the performance and characteristics of our models trained in sequence parallel fashion compared to standard models, we evaluate our approach using a 3D MRI brain tumor segmentation dataset. We show that training with a sequence parallel approach can match standard sequential model training in terms of convergence. Furthermore, we show that our sequence parallel approach has the capability to support training of models that would not be possible on standard computing resources.

Lyngaas, Isaac↗
NASA NTRS2021

Machine Vision based Sample-Tube Localization for Mars Sample Return

A potential Mars Sample Return (MSR) architecture is being jointly studied by NASA and ESA. As currently envisioned, the MSR campaign consists of a series of 3 missions: sample cache, fetch and return to Earth. In this paper, we focus on the fetch part of the MSR, and more specifically the problem of autonomously detecting and localizing sample tubes deposited on the Martian surface. Towards this end, we study two machine-vision based approaches: First, a geometrydriven approach based on template matching that uses hardcoded filters and a 3D shape model of the tube; and second, a data-driven approach based on convolutional neural networks (CNNs) and learned features. Furthermore, we present a large benchmark dataset of sample-tube images, collected in representative outdoor environments and annotated with ground truth segmentation masks and locations. The dataset was acquired systematically across different terrain, illumination conditions and dust-coverage; and benchmarking was performed to study the feasibility of each approach, their relative strengths and weaknesses, and robustness in the presence of adverse environmental conditions.

Detry, R.↗
NASA NTRS2023

EVA Task and 3D Pose Recognition from Video

Extravehicular Activity (EVA) has been known to involve potential risks of biomechanical stresses and injuries to crewmembers. Gathering of EVA motion patterns is necessary for risk analysis and mitigation. However, many existing techniques, such as motion capture systems, are not only cost-prohibitive but are impractical for retrospective analysis of past missions. In this work, a software tool was developed, which can estimate the 3D poses of a spacesuit from photographs or videos, without using special sensors or equipment. The tool is based on the state-of-the-art artificial intelligence and machine learning (AI/ML) system, which was trained by studying and capturing motion patterns of past and current spacesuit test data. The AI/ML tool was further enhanced using synthetically generated data, in which the suit postures, backgrounds, camera angles and illumination conditions were parametrically adjusted and rendered for training. The tool, incorporated the methodologies of Convolutional Neural Network (CNN), was trained, and tested in the cloud computing environment. The trained model was then applied on new imagery and video to extract estimated joint positions and suit outlines. The joint positions were further processed to capture activity (“digging”), pose labels (“bending”), and other useful downstream information. The model performance on new imagery and video was successfully assessed for accuracy and reliability. This AI/ML based posture recognition tool thus allows for the quantification of injury risk and task performance characterization for both current and past missions and training, which can immensely help to improve EVA task and suit design.

Kyung Han Kim↗
DOE OSTI2022

A Review on the State of the Art of Machine Learning and Satellite Imaging: Detecting Scene Changes in Selected Nuclear Fuel Cycle Datasets

The timely detection of clandestine nuclear facilities is one of the greatest challenges faced by the International Atomic Energy Agency’s (IAEA). Idaho National Laboratory is currently applying machine learning (ML) to existing satellite imagery (SI) datasets to find facilities within the nuclear fuel life cycle, with primary focus placed on identifying critical predecessor (i.e., fuel fabrication and fuel enrichment) and successor (i.e., nuclear power plants) facilities. This could provide a satellite image methodology that the IAEA could leverage to discover clandestine facilities. The work presented in this paper describes the evolution of a workflow developed by this team for object detection related to critical infrastructure by expanding that workflow for the purpose of identifying nuclear fuel cycle components and automating dependency assessments. This will be done using two methods housed within a single pipeline. The first method involves implementing a DenseNet161 convolutional neural network to classify the images and explain the results using Local Interpretable Model-Agnostic Explanations (LIME). The second method implements You Only Look Once version 5 (YoloV5), to detect objects within images, provide a probability for the detection, and provide a bounding box that corresponds to the object of interest. The results of this work are anticipated to provide a clear picture of this portion of the nuclear fuel cycle and perform as a stand-alone tool for image assessment that can be expanded to additional fuel cycle components and implemented in international safeguards and national security domains. This capability addresses the IAEA’s need to detect undeclared nuclear materials and activities within a state while encompassing the entire nuclear fuel cycle.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Multimodal Data Representation with Deep Learning for Extracting Cancer Characteristics from Clinical Text

This paper presents a multimodal data representation to improve the performance of deep learning models for extracting cancer key characteristics from unstructured text in pathology reports. Specifically, in addition to using the text as the input to deep learning models, we use concept unique identifiers (CUIs) as another source of information to the models. We analyze the performance of different text and CUI data representations, including word embeddings and bag of embeddings (BOE), with a convolutional neural network (CNN) and a fully connected multilayer perceptron neural network (MLP-NN). The high level document embeddings from text and CUI inputs are combined by concatenating them and then applying a classifier. The model is used for extracting cancer subsite and histology from pathology reports. These two classification tasks have a large number of labels, i.e. 317 for subsite and 556 for histology, with extreme class imbalance. We compare the performance of the developed DL models across the two tasks based on micro- and macro-F1 scores. The evaluation shows that a multi-channel DL model that utilizes text represented by word embeddings and CUIs represented by BOE outperforms other DL models. Also, this approach significantly improves the model performance on low prevalence classes.

Alawad, Mohammed↗
DOE OSTI2022

Adsorbate chemical environment-based machine learning framework for heterogeneous catalysis

Abstract Heterogeneous catalytic reactions are influenced by a subtle interplay of atomic-scale factors, ranging from the catalysts’ local morphology to the presence of high adsorbate coverages. Describing such phenomena via computational models requires generation and analysis of a large space of atomic configurations. To address this challenge, we present Adsorbate Chemical Environment-based Graph Convolution Neural Network (ACE-GCN), a screening workflow that accounts for atomistic configurations comprising diverse adsorbates, binding locations, coordination environments, and substrate morphologies. Using this workflow, we develop catalyst surface models for two illustrative systems: (i) NO adsorbed on a Pt 3 Sn(111) alloy surface, of interest for nitrate electroreduction processes, where high adsorbate coverages combined with low symmetry of the alloy substrate produce a large configurational space, and (ii) OH* adsorbed on a stepped Pt(221) facet, of relevance to the Oxygen Reduction Reaction, where configurational complexity results from the presence of irregular crystal surfaces, high adsorbate coverages, and directionally-dependent adsorbate-adsorbate interactions. In both cases, the ACE-GCN model, trained on a fraction (~10%) of the total DFT-relaxed configurations, successfully describes trends in the relative stabilities of unrelaxed atomic configurations sampled from a large configurational space. This approach is expected to accelerate development of rigorous descriptions of catalyst surfaces under in-situ conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Improving microstructures segmentation via pretraining with synthetic data

Image analysis of material microstructures through microscopy is an integral capability in the field of materials science. The topological and chemical information obtained through microscopy allow us to draw vital connections between material microstructures, properties, and processing. While scanning electron microscopy (SEM) is able to yield a considerable wealth of information interpretable by the intuition of experts, there has been considerable interest in using machine learning, convolutional neural networks (CNNs) in particular, for such image analysis task. Training CNNs for an image analysis task requires a large annotated dataset. However, in many materials science applications, obtaining a large annotated dataset is cost and labor intensive. In this work, we study the use of synthetic data to enlarge the available annotated experimental data of uranium oxide. We utilize a modified Potts model to simulate uranium oxide particles with morphologies similar to those observed experimentally. We then leverage an image-to-image translation model to synthesize the simulated particles as if they are acquired with SEM. Through this process, we obtain pairs of particle images and their corresponding SEM representations, which corresponds to pairs of annotations and images. Unlike previous works, we leverage synthetic data for pretraining a CNN model prior, and finetune that model further with experimental data. We experimentally demonstrate that using synthetic data as incremental learning process benefits the overall performance compared to training a model on combined synthetic and experimental data.

36 MATERIALS SCIENCE↗