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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 109 records · Page 6

ASDFL: An adaptive super‐pixel discriminative feature‐selective learning for vehicle matching

Abstract There are a large number of cameras in modern transportation system that capture numerous vehicle images continuously. Therefore, automatic analysis of these vehicle images is helpful for traffic flow management, criminal investigations and vehicle inspections. Vehicle matching, which aims to determine whether two input images depict an identical vehicle, is one of the core tasks in vehicle analysis. Recent relevant studies have focused on local feature extraction instead of global extraction, since local details can provide crucial cues to distinguish between cars. However, these methods do not select local features; that is, they do not assign weights to local features. Therefore, in this research, we systematically study the vehicle matching task, and present a novel annotation‐free local‐based deep learning method called Adaptive super‐pixel discriminative feature‐selective learning (ASDFL) to address this issue. In ASDFL, vehicle images are segmented into clusters of super‐pixels of similar size by considering the location and colour similarities of pixels without using any component‐level annotation. These super‐pixels are deemed to be the virtual components of vehicles. Moreover, a convolutional neural network is used to extract the deep features of these virtual components. Thereafter, an instance‐specific mask generation module driven by the extracted global features is enhanced to produce a mask to select the most distinctive virtual components of each vehicle image pair in the feature space. Finally, the vehicle matching task is accomplished by classifying the selected virtual component features of each imaged vehicle pair. Extensive experiments on two popular vehicle identification benchmarks demonstrate that our method is 1.57% and 0.8% more accurate than the previous baselines in a vehicle matching task on the VeRi and VehicleID datasets, respectively, which demonstrates the effectiveness of our method.

Qin, Rong↗

Using Machine Learning to Track Objects Across Cameras

Video surveillance is one of the most important technologies used by the International Atomic Energy Agency in international safeguards. At large, complicated facilities, multiple surveillance cameras are deployed to monitor the transfer of safeguards-relevant objects across the site. During inspections, all surveillance videos are reviewed to ensure the objects are not manipulated or diverted during transfer, a laborious, time-consuming task. This work describes using deep machine learning algorithms to track objects automatically across multiple cameras, greatly improving the efficiency of the review process. The fundamental problem in this object tracking task across multiple cameras is how to associate the same object, which may show extreme intra-class variations, such as viewpoints, occlusions, and various scales, in different and even non-overlapped cameras. Object re-identification (Re-ID) in nuclear facility video surveillance is even more challenging than classic person or vehicle Re-ID problems because different instances in the same category may display an identical appearance. One observation from nuclear facility surveillance videos is that all objects must be carted (e.g., via forklift) to move. Therefore, the spatial context information of an object, which provides the feature from the carrier, is critical for the object Re-ID task. This work proposes a two-stream convolutional neural networks model that takes features of objects and their surrounding regions into account. Moreover, the custom videos usually are gleaned from different scenes from the training data, which may have extreme variations in illumination changes and/or cluttered backgrounds. Directly applying the trained model to custom videos will dramatically decrease the performance. To tackle this problem, an advanced domain adaptation technique is proposed to mitigate the gap between the data taken from different scenes. The proposed framework will track objects of interest across a nuclear complex. The resulting tracks can be used in further analyses, such as event/activity recognition, anomaly detection, etc.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Denoising diffusion models with geometry adaptation for high fidelity calorimeter simulation

Simulation is crucial for all aspects of collider data analysis, but the available computing budget in the High Luminosity LHC era will be severely constrained. Generative machine learning models may act as surrogates to replace physics-based full simulation of particle detectors, and diffusion models have recently emerged as the state of the art for other generative tasks. Here, we introduce CaloDiffusion, a denoising diffusion model trained on the public CaloChallenge datasets to generate calorimeter showers. Our algorithm employs 3D cylindrical convolutions, which take advantage of symmetries of the underlying data representation. To handle irregular detector geometries, we augment the diffusion model with a new geometry latent mapping (GLaM) layer to learn forward and reverse transformations to a regular geometry that is suitable for cylindrical convolutions. The showers generated by our approach are nearly indistinguishable from the full simulation, as measured by several different metrics.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Relationships between pigment composition variation and reflectance for plant species from a coastal savannah in California

Advances in imaging spectroscopy have indicated that remotely sensed reflectance measurements of the plant canopy may be used to identify and qualify some classes of canopy biochemicals; however, the manner in which differences in biochemical compositions translate into differences is not well understood. Most frequently, multiple linear regression routines have been used to correlate narrow band reflectance values with measured biochemical concentrations. Although some success has been achieved with such methods for given data sets, the bands selected by multiple regression are not consistent between data sets, nor is it always clear what physical or biological basis underlies the correlation. To examine the relationship between biochemical concentration and leaf reflectance signal we chose to focus on the visible spectrum where the primary biochemical absorbances are due to photosynthetic pigments. Pigments provide a range of absorbance features, occur over a range of concentrations in natural samples, and are ecophysiologically important. Concentrations of chlorophyll, for example, have been strongly correlated to foliar nitrogen levels within a species and to photosynthetic capacity across many species. In addition pigments effectively absorb most of the photosynthetically active radiation between 400-700 nm, a spectral region for which silicon detectors have good signal/noise characteristics. Our strategy has been to sample a variety of naturally occurring species to measure leaf reflectance and pigment compositions. We hope to extend our understanding of pigment reflectance effects to interpret small overlapping absorbances of other biochemicals in the infrared region. For this reason, selected samples were also tested to determine total nitrogen, crude protein, cellulose, and lignin levels. Leaf reflectance spectra measured with AVIRIS bandwidths and wavelengths were compared between species and within species and for differences between seasons, for changes in the the shape of the spectra. We attempt to statistically correlate these shape changes with differences in pigment compositions. In parallel with our comparisons of pigment composition and leaf reflectance, we have modified the PROSPECT leaf reflectance model to test the contributions of pigments or pigment group concentrations. PROSPECT considers a leaf as a multi-layer dielectric plane with an uneven surface. Jacquemoud adapted the basic analysis of Allen for surface effects, a leaf thickness factor, and the absorption of water and chlorophyll (actually all pigments) and the plant matrix. Our modifications to PROSPECT in the forward direction include breaking out the pigment concentration parameter into separate components for chlorophyll a and b and a number of xanthophylls and carotenes, and introducing a shift and convolution function to model the spread and shift from their in vitro measurements to their in vivo state. Further, we have considered how the matrix elements (i.e., all biochemicals and structural effects not modeled explicity) vary with species.

Ustin, Susan L.↗

A Dynamic Reduction Network for Point Clouds

Classifying whole images is a classic problem in machine learning, and graph neural networks are a powerful methodology to learn highly irregular geometries. It is often the case that certain parts of a point cloud are more important than others when determining overall classification. On graph structures this started by pooling information at the end of convolutional filters, and has evolved to a variety of staged pooling techniques on static graphs. In this paper, a dynamic graph formulation of pooling is introduced that removes the need for predetermined graph structure. It achieves this by dynamically learning the most important relationships between data via an intermediate clustering. The network architecture yields interesting results considering representation size and efficiency. It also adapts easily to a large number of tasks from image classification to energy regression in high energy particle physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Dissecting the Genetic Architecture of Carbon Partitioning in Sorghum Using Multiscale Phenotypes

Carbon partitioning in plants may be viewed as a dynamic process composed of the many interactions between sources and sinks. The accumulation and distribution of fixed carbon is not dictated simply by the sink strength and number but is dependent upon the source, pathways, and interactions of the system. As such, the study of carbon partitioning through perturbations to the system or through focus on individual traits may fail to produce actionable developments or a comprehensive understanding of the mechanisms underlying this complex process. Using the recently published sorghum carbon-partitioning panel, we collected both macroscale phenotypic characteristics such as plant height, above-ground biomass, and dry weight along with microscale compositional traits to deconvolute the carbon-partitioning pathways in this multipurpose crop. Multivariate analyses of traits resulted in the identification of numerous loci associated with several distinct carbon-partitioning traits, which putatively regulate sugar content, manganese homeostasis, and nitrate transportation. Using a multivariate adaptive shrinkage approach, we identified several loci associated with multiple traits suggesting that pleiotropic and/or interactive effects may positively influence multiple carbon-partitioning traits, or these overlaps may represent molecular switches mediating basal carbon allocating or partitioning networks. Conversely, we also identify a carbon tradeoff where reduced lignin content is associated with increased sugar content. The results presented here support previous studies demonstrating the convoluted nature of carbon partitioning in sorghum and emphasize the importance of taking a holistic approach to the study of carbon partitioning by utilizing multiscale phenotypes.

59 BASIC BIOLOGICAL SCIENCES↗

A reusable neural network pipeline for unidirectional fiber segmentation

Abstract Fiber-reinforced ceramic-matrix composites are advanced, temperature resistant materials with applications in aerospace engineering. Their analysis involves the detection and separation of fibers, embedded in a fiber bed, from an imaged sample. Currently, this is mostly done using semi-supervised techniques. Here, we present an open, automated computational pipeline to detect fibers from a tomographically reconstructed X-ray volume. We apply our pipeline to a non-trivial dataset by Larson et al . To separate the fibers in these samples, we tested four different architectures of convolutional neural networks. When comparing our neural network approach to a semi-supervised one, we obtained Dice and Matthews coefficients reaching up to 98%, showing that these automated approaches can match human-supervised methods, in some cases separating fibers that human-curated algorithms could not find. The software written for this project is open source, released under a permissive license, and can be freely adapted and re-used in other domains.

79 ASTRONOMY AND ASTROPHYSICS↗

Automated pattern eduction from turbulent flow diagnostics

The development of an automated technique for the eduction of 3-D spatial patterns in vector or scalar diagnostics was completed. The method is based on an iterative convolution between a trial pattern and the data field. It was applied to the analysis of low Reynolds number turbulent channel flow and homogeneous shear flow. The results yielded new information on the dominant flow structures in these flows, particularly with respect to the spatial relationships between various forms of organized motion. A particular application of the pattern eduction method, which is tentatively referred to as an 'adaptive wavelet transformation', is proposed with the objective of investigating the way turbulence structure changes with scale. Preliminary results using data from homogeneous turbulent shear flow simulations are presented. At the low Reynolds numbers of the simulations, there is no evidence of scale similarity. The small scales appear to be associated with the edges of the larger scale vortical structures.

Stretch, Derek D.↗

Meta-Learning Enhanced Physics-Informed Graph Attention Convolutional Network for Distribution Power System State Estimation

Promptly perceiving distribution system states is challenged by frequent topology changes and uncertain power injections. To address these issues, a Meta-learning enhanced physics-informed graph attention convolutional network (Meta-PIGACN) model is proposed to handle topological variability in distribution system state estimation (DSSE). Specifically, physics information is integrated into the graph convolutional network, enabling a physics-informed edge-weighting process that incorporates physical information to control the aggregation of neighboring nodes. Besides, the graph attention mechanism automatically adjusts the importance of different neighboring nodes, allowing the capture and preservation of inherent system features across varying topologies, thereby improving state estimation accuracy. Furthermore, meta-learning is proposed to acquire empirical knowledge across multiple topologies so that the model can rapidly adapt to new configurations through iterative gradient descent updates even in large-scale systems. In conclusion, the simulation results based on the 33/118/1746-node distribution systems show the high accuracy and efficiency of the proposed model.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Survey of Machine Learning-Based Rotating Detonation Engine Diagnostics: Evaluation for Broad Application in Experimental Facilities

This work evaluates and compares various convolutional neural networks (CNNs) trained in previous NETL studies according to metrics effecting diagnostic feasibility, external applicability, and performance. Each CNN surveyed, including image classification, object detection, and time series classification, is used to develop total RDE diagnostics and evaluated alongside conventional techniques with respect to real-time capabilities. Real-time capable diagnostics are deployed and evaluated in the laboratory environment using an altered experimental setup, which is outlined herein for possible adaptations in external experimental facilities.

Johnson, Kristyn↗

Survey of Machine Learning-Based Rotating Detonation Engine Diagnostics: Evaluation for Broad Application in Experimental Facilities

This work evaluates and compares various convolutional neural networks (CNNs) trained in previous NETL studies according to metrics effecting diagnostic feasibility, external applicability, and performance. Each CNN surveyed, including image classification, object detection, and time series classification, is used to develop total RDE diagnostics and evaluated alongside conventional techniques with respect to real-time capabilities. Real-time capable diagnostics are deployed and evaluated in the laboratory environment using an altered experimental setup, which is outlined herein for possible adaptations in external experimental facilities.

Johnson, Kristyn↗

Exploring electron-beam induced modifications of materials with machine-learning assisted high temporal resolution electron microscopy

Directed atomic fabrication using an aberration-corrected scanning transmission electron microscope (STEM) opens new pathways for atomic engineering of functional materials. In this approach, the electron beam is used to actively alter the atomic structure through electron beam induced irradiation processes. One of the impediments that has limited widespread use thus far has been the ability to understand the fundamental mechanisms of atomic transformation pathways at high spatiotemporal resolution. Here, we develop a workflow for obtaining and analyzing high-speed spiral scan STEM data, up to 100 fps, to track the atomic fabrication process during nanopore milling in monolayer MoS 2 . An automated feedback-controlled electron beam positioning system combined with deep convolution neural network (DCNN) was used to decipher fast but low signal-to-noise datasets and classify time-resolved atom positions and nature of their evolving atomic defect configurations. Through this automated decoding, the initial atomic disordering and reordering processes leading to nanopore formation was able to be studied across various timescales. Using these experimental workflows a greater degree of speed and information can be extracted from small datasets without compromising spatial resolution. This approach can be adapted to other 2D materials systems to gain further insights into the defect formation necessary to inform future automated fabrication techniques utilizing the STEM electron beam.

36 MATERIALS SCIENCE↗

Numerical Integration of Viscoelastic Models

Accurate modeling of viscoelasticity remains an important consideration for a variety of materials (e.g. polymers and inorganic glasses). As such, over the previous decades a substantial body of work has been dedicated to developing appropriate constitutive models for viscoelasticity ranging from initial considerations of linear thermoviscoelasticity to more complex non-linear formulations incorporating fictive temperatures or potential energy clocks including the use of both internal state variable(ISV) and hereditary integral representations. Nonetheless, relatively limited (in comparison to plasticity) attention has been paid to the numerical integration of such schemes. In terms of integral based formulations, Taylor et al. first considered the problem of the integration of a linear viscoelasticity model. That work focused on the integration of the hereditary integrals and demonstrated improved performance of the new scheme with a custom finite element code over an existing finite difference reference. Chambers and Becker, using a free volume based shift factor, also considered the integration of the hereditary integrals and the impact on the problem of a pressurized thick-walled cylinder and developed an adaptive scheme to bound the error. Chambers later developed three-point Gauss and composite integration schemes for the hereditary integrals and noted improved accuracy. With respect to ISV-based schemes, formulations for the non-linear Schapery model have been proposed. However, in those efforts greater attention was paid to convergence of the non-linear solution scheme than impact of numerical integration. Various authors (e.g. Holzapfel and Simo and Hughes) have also studied the use of convolution integrals with differential forms of ISVs for temperature-independent formulations. Regardless, while the "potential energy clock" (PEC) and "simplified potential energy clock"(SPEC) models have been used to study a variety of non-linear responses (e.g.), limited attention has been paid to the numerical performance. As will be discussed later, the "clock" at the center of the formulations includes temperature and complex history dependence making the numerical integration of such a model even more challenging. Thus, in the current work an initial effort towards characterizing the numerical integration of the constitutive model through simplified problems is performed. To that end, in Section 2 the theory of the model is briefly presented while the numerical integration is discussed in Section 3. Results of various studies characterizing the numerical behavior and performance are then given in Section 4. Finally, some concluding remarks and thoughts for follow on works are provided in Section 5.

36 MATERIALS SCIENCE↗

Iterative self-organizing SCEne-LEvel sampling (ISOSCELES) for large-scale building extraction

Convolutional neural networks (CNN) provide state-of-the-art performance in many computer vision tasks, including those related to remote-sensing image analysis. Successfully training a CNN to generalize well to unseen data, however, requires training on samples that represent the full distribution of variation of both the target classes and their surrounding contexts. With remote sensing data, acquiring a sufficiently representative training set is a challenge due to both the inherent multi-modal variability of satellite or aerial imagery and the general high cost of labeling data. To address this challenge, we have developed ISOSCELES, an Iterative Self-Organizing SCEne LEvel Sampling method for hierarchical sampling of large image sets. Using affinity propagation, ISOSCELES automates the selection of highly representative training images. Compared to random sampling or using available reference data, the distribution of the training is principally data driven, reducing the chance of oversampling uninformative areas or undersampling informative ones. In comparison to manual sample selection by an analyst, ISOSCELES exploits descriptive features, spectral and/or textural, and eliminates human bias in sample selection. Using a hierarchical sampling approach, ISOSCELES can obtain a training set that reflects both between-scene variability, such as in viewing angle and time of day, and within-scene variability at the level of individual training samples. We verify the method by demonstrating its superiority to stratified random sampling in the challenging task of adapting a pre-trained model to a new image and spatial domain for country-scale building extraction. Using a pair of hand-labeled training sets comprising 1,987 sample image chips, a total of 496,000,000 individually labeled pixels, we show, across three distinct model architectures, an increase in accuracy, as measured by F1-score, of 2.2–4.2%.

42 ENGINEERING↗

Uncertainty analysis of correlated parameters in automated reaction mechanism generation

Abstract Uncertainty analysis is a useful tool for inspecting and improving detailed kinetic mechanisms because it can identify the greatest sources of model output error. Owing to the very nonlinear relationship between kinetic and thermodynamic parameters and computed concentrations, model predictions can be extremely sensitive to uncertainties in some parameters while uncertainties in other parameters can be irrelevant. Error propagation becomes even more convoluted in automatically generated kinetic models, where input uncertainties are correlated through kinetic rate rules and thermodynamic group values. Local and global uncertainty analyses were implemented and used to analyze error propagation in Reaction Mechanism Generator (RMG), an open‐source software for generating kinetic models. A framework for automatically assigning parameter uncertainties to estimated thermodynamics and kinetics was created, enabling tracking of correlated uncertainties. Local first‐order uncertainty propagation was implemented using sensitivities computed natively within RMG. Global uncertainty analysis was implemented using adaptive Smolyak pseudospectral approximations as implemented in the MIT Uncertainty Quantification Library to efficiently compute and construct polynomial chaos expansions to approximate the dependence of outputs on a subset of uncertain inputs. Cantera was used as a backend for simulating the reactor system in the global analysis. Analyses were performed for a phenyldodecane pyrolysis model. Local and global methods demonstrated similar trends; however, many uncertainties were significantly overestimated by the local analysis. Both local and global analyses show that correlated uncertainties based on kinetic rate rules and thermochemical groups drastically reduce a model's degrees of freedom and have a large impact on the determination of the most influential input parameters. These results highlight the necessity of incorporating uncertainty analysis in the mechanism generation workflow.

Gao, Connie W.↗

Predicting future well performance for environmental remediation design using deep learning

Here in this study, we developed a deep learning (DL) framework with a multi-channel three-dimensional convolutional neural network (MC3D-CNN) to predict well performance and thereby assist future environmental remediation design. Such prediction of extraction well performance at designated locations is critical for configuring pump-and-treat (P&T) well network design and operation, setting reasonable target closure dates for overall remedying, and estimating remedy costs. The framework is developed with operational and monitoring data routinely collected during P&T remedy operations, including well extraction and injection rates as well as in situ contaminant concentrations. Traditionally, the collected data were rarely used for purposes other than assessing past well performance and the accuracy of the conceptual site model. However, recent advances in data-driven computational approaches enable better use of the large datasets to inform future well performance, enhance site characterization, and improve remediation planning. In this study, we established a DL framework to integrate transient three-dimensional contaminant plumes and multiple aquifer properties (e.g., hydraulic conductivity and hydrostratigraphic maps) to identify characteristic patterns controlling and representing extraction well mass recovery, aiming at providing future mass recovery estimates for existing wells and candidate wells at any proposed locations. We evaluated our framework by using a realistic synthetic dataset generated from a well-calibrated flow and transport model used in the 200 West Area of the U.S. Department of Energy’s Hanford Site in southeastern Washington state. The multi-channel feature in our framework allows integration of various types and temporal densities of training datasets for DL model development. Overall, we found that the trained DL model achieved an accuracy of over 90% in ranking extraction well performance in validation datasets, and over 80% in predicting high-performance-ranking well locations. This data-informed approach provides a flexible tool to support adaptive site management, streamline decision-making, and potentially reduce remediation time and costs. Our DL framework can be used as a filtering tool to improve the current P&T network optimization design by reducing the number of candidate well locations.

54 ENVIRONMENTAL SCIENCES↗

Multilevel-in-width training for deep neural network regression

A common challenge in regression is that for many problems, the degrees of freedom required for a high-quality solution also allows for overfitting. Regularization is a class of strategies that seek to restrict the range of possible solutions so as to discourage overfitting while still enabling good solutions, and different regularization strategies impose different types of restrictions. In this paper, we present a multilevel regularization strategy that constructs and trains a hierarchy of neural networks, each of which has layers that are wider versions of the previous network's layers. Here, we draw intuition and techniques from the field of Algebraic Multigrid (AMG), traditionally used for solving linear and nonlinear systems of equations, and specifically adapt the Full Approximation Scheme (FAS) for nonlinear systems of equations to the problem of deep learning. Training through V-cycles then encourage the neural networks to build a hierarchical understanding of the problem. We refer to this approach as multilevel-in-width to distinguish from prior multilevel works which hierarchically alter the depth of neural networks. The resulting approach is a highly flexible framework that can be applied to a variety of layer types, which we demonstrate with both fully connected and convolutional layers. We experimentally show with PDE regression problems that our multilevel training approach is an effective regularizer, improving the generalize performance of the neural networks studied.

97 MATHEMATICS AND COMPUTING↗

Bayesian Optimized Deep Ensemble for Uncertainty Quantification of Deep Neural Networks: a System Safety Case Study on Sodium Fast Reactor Thermal Stratification Modeling

Deep neural networks (DNNs) are increasingly important to scientific computing and engineering system simulations. Accurate uncertainty quantification (UQ) for DNNs is critical in safety-sensitive engineering domains. Traditional Deep Ensemble (DE) methods, while easy to implement, frequently suffer from poorly calibrated uncertainty estimates and limited predictive accuracy due to reliance on fixed architectures with varied weight initializations. To address these issues, we introduce a workflow that combines Bayesian Optimization (BO) and DE. The workflow is modular, scalable, and integrates parallel BO initialized with Sobol sequences to individually optimize the hyperparameters of each ensemble member. This method enhances ensemble diversity, improves predictive accuracy, and provides reliable uncertainty estimates. We evaluate the proposed BODE approach in a sodium fast reactor thermal stratification modeling case study, where we used a densely connected convolutional neural network to predict turbulent viscosity during the reactor transient with consideration of data noise. We benchmark its performance against several optimization approaches, including baseline deep ensemble, evolutionary algorithm-optimized ensemble, ensemble formed via random search combined with greedy selection, and a BO ensemble using random initialization. Here, our results demonstrate superior performance of the developed BODE approach. In noise-free scenarios, BODE notably reduces incorrect aleatoric uncertainty and significantly enhances predictive accuracy. Under conditions of 5% and 10% Gaussian noise, BODE adaptively quantifies uncertainty proportional to data noise, achieving up to an 80% reduction in root mean square error compared to baseline methods and producing well-calibrated prediction intervals.

Bayesian optimization↗