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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
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Optimization of the deep neural network parameters for generating homogenized fuel assembly data for nodal codes

Homogenized fuel assembly (FA) data is a typical input data for nodal codes. Generating that data, however, could be time-consuming. One of promising ways to mitigate the computational burden of generating macroscopic cross-sections is to use trained artificial neural network (ANN) models for predicting nuclear data. However, there is a challenge to make the model support variable FA geometry. In this work, two most common types of FA were combined in one ANN model. Since there could be multiple ways of converting 2-dimensional FA data into 1-dimensional input vector for ANN, three different approaches of data flattening were evaluated. The input parameters included each fuel pin enrichment, fuel temperature, moderator temperature and boron concentration. The output parameters were 2-group macroscopic cross-sections (XS) and pin power distribution (HFF). A fully connected deep neural network (DNN) model was trained and tested using pre-generated data obtained with lattice physics code STREAM. The results of this study showed no statistically significant difference in the accuracy of XS and HFF generation for all 3 tested input vector orders. This means that fully connected DNN for XS generation demonstrated input sequence invariance. Results of comparing predicted XS data with reference solutions were found sufficiently close considering the reduction of computation time offered by ANN. Mean relative difference (MRD) for all output XS parameters was found below 0.7%, while HFF MRD was found higher compared to XS values, in some cases slightly exceeding 1%, mostly near guide tube locations. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Physics-Informed Deep Neural Network Method for Limited Observability State Estimation

The precise knowledge regarding the state of the power grid is important in order to ensure optimal and reliable grid operation. Specifically, knowing the state of the distribution grid becomes increasingly important as more renewable energy sources are connected directly into the distribution network, increasing the fluctuations of the injected power. In this paper, we consider the case when the distribution grid becomes partially observable, due to for example cyber attacks, and the state estimation problem is under-determined. We present a new methodology that leverages a deep neural network (DNN) to estimate the grid state. The standard DNN training method is modified to explicitly incorporate the physical information of the grid topology and line/shunt admittance. We show that our method leads to a superior accuracy of the estimation when compared to the case when no physical information is provided. Finally, we compare the performance of our method to the standard state estimation approach, which is based on the weighted least squares with pseudo-measurements, and show that our method performs significantly better with respect to the estimation accuracy.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Sandia National Laboratories Ecosystem for Open Science: Metadata Schema v0.2 Description.

The Ecosystem for Open Science (eOS) initiative was established in 2019. Its objective is improving openness and sharing of data and information across Defense Nuclear Nonproliferation (DNN) Research and Development (R&D) activities. To support this initiative, the eOS team at Sandia National Laboratories (SNL) developed metadata and data standards and proposed a machine-readable metadata schema. The nuclear explosion monitoring field was selected as a focus area due to its the wide range of pertinent phenomenologies.We developed the DCAT-eOS-AP metadata schema extending the Data Catalog Vocabulary version 2 (DCATv2) standard using an application profile (AP), to fit the needs of multi-disciplinary NA-22 projects. The DCAT-eOS-AP metadata schema describes data at different levels of granularity ranging from general descriptions to more domain-specific granular metadata. Its implementation and serialization is flexible with the ability to include new file or data types. Thus, it will scale with the ever-increasing data management needs of government research. Due to the multitude of phenomenologies represented in the DCAT-eOS-AP schema, we anticipate that it will be easily extensible to various projects across many DOE mission areas. This document describes data management challenges faced within the DNN R&D portfolio and provides insight on how metadata and data standards/guidelines combined with a comprehensive metadata schema can add value to programs throughout the Department of Energy (DOE). It reviews the importance of metadata standards, FAIR (Findability, Accessibility, Interoperability, and Reusability) data principles, and metadata schemas. Additionally, it summarizes input from subject matter experts (SME) at SNL and other National Laboratories that resulted in metadata and data standards/guidelines encompassing domains relevant to NA-22 projects. Finally, we discuss the DCAT-eOS-AP metadata development. Implementation recommendations and future development directions are included for those keen on adopting the DCAT-eOS-AP metadata schema.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2023

Australian Safeguards and Non-Proliferation Office Visit: Nuclear Nonproliferation and Security Program at LANL [Slides]

The Laboratory’s nuclear nonproliferation and security portfolio is managed by the GS-NNS program office: NNSA’s Defense Nuclear Nonproliferation office (DNN) makes up ~80% of our work. We also support State Dept activities closely aligned with our work for DNN and NASAprograms. Our work is executed across the entire Laboratory, approximately half in the Global Security directorate and a third in the Weapons Program.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2022

Learning Optimal Aerodynamic Designs

This project created a framework for efficient, accurate, and scalable deep neural network representations of design optimization problem solutions. The inputs to these DNN representations are the vector of design requirement parameters, the outputs are the optimal design variables, and the goal is to learn the map from inputs to outputs (i.e., inverse design). The team addressed the problem of the optimal shape design of aerodynamic lifting surfaces—in particular aircraft wings—using a Reynolds-Average Navier Stokes model to govern the CFD-based aerodynamic shape optimization. The inverse design map for such problems is very complex and high-dimensional, involving inputs and outputs on the order of 1000s. To approximate this inverse design map, the team developed algorithms to construct parsimonious DNN architectures, which automatically identify low-dimensional manifolds in which design requirements affect optimal shape parameters, and trained these architectures with multifidelity optimization methods. The resulting methodology accurately and automatically designs optimal aerodynamic lifting surfaces with very high accuracy (99%) at interactive speeds, of the order of milliseconds, resulting in factors of one million or more speedup relative to CFD-based design optimization.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

AI-Driven Detector Design for the EIC (Final Technical Report)

We developed an optimization workflow based on DNN-based fast-simulation and reconstruction algorithms. We used these methods to advance the design of calorimeter systems for the Electron-Ion Collider (EIC). This DNN-driven optimization provides a blueprint for integrating gradient-based methods into detector-design workflows. All software pipelines and methods have been released publicly and incorporated into the EIC collaboration’s physics studies, broadening their impact. Three journal articles detailing the methods developed here serve as a reference for the design and optimal use of next generation high-granularity calorimeter systems in nuclear and particle physics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

A New Perspective of Post-Weld Baking Effect on Al-Steel Resistance Spot Weld Properties through Machine Learning and Finite Element Modeling

The root cause of post-weld baking on the mechanical performance of Al-steel dissimilar resistance spot welds (RSWs) has been determined by machine learning (ML) and finite element modeling (FEM) in this study. A deep neural network (DNN) model was constructed to associate the spot weld performance with the joint attributes, stacking materials, and other conditions, using a comprehensive experimental dataset. The DNN model positively identified that the post-weld baking reduces the joint performance, and the extent of degradation depends on the thickness of stacking materials. A three-dimensional finite element (FE) model was then used to investigate the root cause and the mechanism of the baking effect. It revealed that the formation of high thermal stresses during baking, from the mismatch of thermal expansion between steel and Al alloy, causes damage and cracking of the brittle intermetallic compound (IMC) formed at the interface of the weld nugget during welding. This in turn reduces the joint performance by promoting undesirable interfacial fracture when the welds were subjected to externally applied loads. The FEM model further revealed that increase in structural stiffness, because of increase in steel sheet thickness, reduces the thermal stresses at the interface caused by the thermal expansion mismatch and consequently lessens the detrimental effect of post-weld baking on the joint performance.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Densely Connected G-invariant Deep Neural Networks with Signed Permutation Representations

We introduce and investigate, for finite groups G, G-invariant deep neural network (GDNN) architectures with ReLU activation that are densely connected- i.e., include all possible skip connections. In contrast to other G-invariant architectures in the literature, the preactivations of theG-DNNs presented here are able to transform by signed permutation representations (signed perm-reps) of G. Moreover, the individual layers of the G-DNNs are not required to be G-equivariant; instead, the preactivations are constrained to be G-equivariant functions of the network input in a way that couples weights across all layers. The result is a richer family of G-invariant architectures never seen previously. We derive an efficient implementation of G-DNNs after a reparameterization of weights, as well as necessary and sufficient conditions for an architecture to be "admissible"- i.e., nondegenerate and inequivalent to smaller architectures. We include code that allows a user to build a G-DNN interactively layer-by-layer, with the final architecture guaranteed to be admissible. We show that there are far more admissible G-DNN architectures than those accessible with the "concatenated ReLU" activation function from the literature. Finally, we apply G-DNNs to two example problems--(1) multiplication in --1, 1} (with theoretical guarantees) and (2) 3D object classification--finding that the inclusion of signed perm-reps significantly boosts predictive performance compared to baselines with only ordinary (i.e., unsigned) perm-reps.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Factorized visual representations in the primate visual system and deep neural networks

Object classification has been proposed as a principal objective of the primate ventral visual stream and has been used as an optimization target for deep neural network models (DNNs) of the visual system. However, visual brain areas represent many different types of information, and optimizing for classification of object identity alone does not constrain how other information may be encoded in visual representations. Information about different scene parameters may be discarded altogether (‘invariance’), represented in non-interfering subspaces of population activity (‘factorization’) or encoded in an entangled fashion. In this work, we provide evidence that factorization is a normative principle of biological visual representations. In the monkey ventral visual hierarchy, we found that factorization of object pose and background information from object identity increased in higher-level regions and strongly contributed to improving object identity decoding performance. We then conducted a large-scale analysis of factorization of individual scene parameters – lighting, background, camera viewpoint, and object pose – in a diverse library of DNN models of the visual system. Models which best matched neural, fMRI, and behavioral data from both monkeys and humans across 12 datasets tended to be those which factorized scene parameters most strongly. Notably, invariance to these parameters was not as consistently associated with matches to neural and behavioral data, suggesting that maintaining non-class information in factorized activity subspaces is often preferred to dropping it altogether. Thus, we propose that factorization of visual scene information is a widely used strategy in brains and DNN models thereof.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Deep Learning-Based Queue-Aware Eco-Approach and Departure System for Plug-In Hybrid Electric Buses at Signalized Intersections: A Simulation Study

Eco-Approach and Departure (EAD) has been considered as a promising eco-driving strategy for vehicles traveling in an urban environment, where information such as signal phase and timing (SPaT) and geometric intersection description is well utilized to guide vehicles passing through intersections in the most energy-efficient manner. Previous studies formulated the optimal trajectory planning problem as finding the shortest path on a graphical model. While this method is effective in terms of energy saving, its computation efficiency can be further enhanced by adopting machine learning techniques. In this paper, we propose an innovative deep learning-based queue-aware eco-approach and departure (DLQ-EAD) system for a plug-in hybrid electric bus (PHEB), which is able to provide an online optimal trajectory for the vehicle considering both the downstream traffic condition (i.e. traffic lights, queues) and the vehicle powertrain efficiency. Based on optimal solutions obtained from the graph-based trajectory planning algorithm (GTPA), a deep neural network (DNN) is developed to learn the optimal vehicle speed for the next time step given its current state. It is demonstrated that the trained DNN can provide energy-efficient trajectories with high computational efficiency and high flexibility adopting to dynamic changes in the surrounding environment. To address the impact of downstream traffic, a queue prediction model is further developed using data from radars and connected vehicles (CVs), as well as signal timing data from SPaT messages. A comprehensive simulation study in the microscopic traffic modeling software PTV VISSIM shows that the proposed DLQ-EAD can achieve 18.7%-24.0% energy efficiency improvements for a single PHEB on various traffic congestion levels. The proposed queue prediction model can be of practical significance even at low penetration rates of CVs. Specifically, additional energy savings of 2.0%-8.2% can be further achieved with 20% vehicles in the network.

Ye, Fei↗
DOE OSTI2022

A Classification of G -invariant Shallow Neural Networks

When trying to fit a deep neural network (DNN) to a G-invariant target function with G a group, it only makes sense to constrain the DNN to be G-invariant as well. However, there can be many different ways to do this, thus raising the problem of “G-invariant neural architecture design”: What is the optimal Ginvariant architecture for a given problem? Before we can consider the optimization problem itself, we must understand the search space, the architectures in it, and how they relate to one another. In this paper, we take a first step towards this goal; we prove a theorem that gives a classification of all G-invariant single-hidden-layer or “shallow” neural network (G-SNN) architectures with ReLU activation for any finite orthogonal group G, and we prove a second theorem that characterizes the inclusion maps or “network morphisms” between the architectures that can be leveraged during neural architecture search (NAS). The proof is based on a correspondence of every G-SNN to a signed permutation representation of G acting on the hidden neurons; the classification is equivalently given in terms of the first cohomology classes of G, thus admitting a topological interpretation. The G-SNN architectures corresponding to nontrivial cohomology classes have, to our knowledge, never been explicitly identified in the literature previously. Using a code implementation, we enumerate the G-SNN architectures for some example groups G and visualize their structure. Lastly, we prove that architectures corresponding to inequivalent cohomology classes coincide in function space only when their weight matrices are zero, and we discuss the implications of this for NAS.

Agrawal, Devanshu↗
DOE OSTI2023

Deep learning uncertainty quantification for clinical text classification

Machine learning algorithms are expected to work side-by-side with humans in decision-making pipelines. Thus, the ability of classifiers to make reliable decisions is of paramount importance. Deep neural networks (DNNs) represent the state-of-the-art models to address real-world classification. Although the strength of activation in DNNs is often correlated with the network’s confidence, in-depth analyses are needed to establish whether they are well calibrated. In this paper, we demonstrate the use of DNN-based classification tools to benefit cancer registries by automating information extraction of disease at diagnosis and at surgery from electronic text pathology reports from the US National Cancer Institute (NCI) Surveillance, Epidemiology, and End Results (SEER) population-based cancer registries. In particular, we introduce multiple methods for selective classification to achieve a target level of accuracy on multiple classification tasks while minimizing the rejection amount—that is, the number of electronic pathology reports for which the model’s predictions are unreliable. We evaluate the proposed methods by comparing our approach with the current in-house deep learning-based abstaining classifier. Overall, all the proposed selective classification methods effectively allow for achieving the targeted level of accuracy or higher in a trade-off analysis aimed to minimize the rejection rate. On in-distribution validation and holdout test data, with all the proposed methods, we achieve on all tasks the required target level of accuracy with a lower rejection rate than the deep abstaining classifier (DAC). Interpreting the results for the out-of-distribution test data is more complex; nevertheless, in this case as well, the rejection rate from the best among the proposed methods achieving 97% accuracy or higher is lower than the rejection rate based on the DAC. We show that although both approaches can flag those samples that should be manually reviewed and labeled by human annotators, the newly proposed methods retain a larger fraction and do so without retraining—thus offering a reduced computational cost compared with the in-house deep learning-based abstaining classifier.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Estimating Watershed Subsurface Permeability From Stream Discharge Data Using Deep Neural Networks

Subsurface permeability is a key parameter in watershed models that controls the contribution from the subsurface flow to stream flows. Since the permeability is difficult and expensive to measure directly at the spatial extent and resolution required by fully distributed watershed models, estimation through inverse modeling has had a long history in subsurface hydrology. The wide availability of stream surface flow data, compared to groundwater monitoring data, provides a new data source to infer soil and geologic properties using integrated surface and subsurface hydrologic models. As most of the existing methods have shown difficulty in dealing with highly nonlinear inverse problems, we explore the use of deep neural networks for inversion owing to their successes in mapping complex, highly nonlinear relationships. We train various deep neural network (DNN) models with different architectures to predict subsurface permeability from stream discharge hydrograph at the watershed outlet. The training data are obtained from ensemble simulations of hydrographs corresponding to an permeability ensemble using a fully-distributed, integrated surface-subsurface hydrologic model. The trained model is then applied to estimate the permeability of the real watershed using its observed hydrograph at the outlet. Our study demonstrates that the permeabilities of the soil and geologic facies that make significant contributions to the outlet discharge can be more accurately estimated from the discharge data. Their estimations are also more robust with observation errors. Compared to the traditional ensemble smoother method, DNNs show stronger performance in capturing the nonlinear relationship between permeability and stream hydrograph to accurately estimate permeability. Our study sheds new light on the value of the emerging deep learning methods in assisting integrated watershed modeling by improving parameter estimation, which will eventually reduce the uncertainty in predictive watershed models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Deep Learning the Electromagnetic Properties of Metamaterials—A Comprehensive Review

Deep neural networks (DNNs) are empirically derived systems that have transformed traditional research methods, and are driving scientific discovery. Here, artificial electromagnetic materials (AEMs)—including electromagnetic metamaterials, photonic crystals, and plasmonics—are research fields where DNN results valorize the data driven approach; especially in cases where conventional methods have failed. In view of the great potential of deep learning for the future of artificial electromagnetic materials research, the status of the field with a focus on recent advances, key limitations, and future directions is reviewed. Strategies, guidance, evaluation, and limits of using deep networks for both forward and inverse AEM problems are presented.

14 SOLAR ENERGY↗
DOE OSTI2023

Iterative sampling of expensive simulations for faster deep surrogate training

Deep neural network (DNN) surrogates of expensive physics simulations are enabling a rapid change in the way that common experimental design and analysis tasks are approached. Surrogate models allow simulations to be performed in parallel and separately from downstream tasks, thereby enabling analyses that would be impossible with the simulation in-the-loop; surrogates based on DNNs can effectively emulate diverse non-scalar data of the types collected in fusion and laboratory-astrophysics experiments. The challenge is in training the surrogate model, for which large ensembles of physics simulations must be run, preferably without wasting computational effort on uninteresting simulations. Here, in this paper, we present an iterative sampling scheme that can preferentially propose simulations in interesting regions of parameter space without neglecting unexplored regions, allowing high-quality and wide-ranging surrogate models to be trained using 2–3 times fewer simulations compare to space-filling designs. Our approach uses an explicit importance function defined on the simulation output space, balanced against a measure of simulation density which serves as a proxy for surrogate accuracy. It is easy to implement and can be tuned to find interesting simulations early in the study, allowing surrogates to be trained quickly and refined as new simulations become available; this represents an important step towards the routine generation of deep surrogate models quickly enough to be truly relevant to experimental work.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Probabilistic partition of unity networks for high–dimensional regression problems

We explore the probabilistic partition of unity network (PPOU-Net) model in the context of high-dimensional regression problems and propose a general framework focusing on adaptive dimensionality reduction. With the proposed framework, the target function is approximated by a mixture of experts model on a low-dimensional manifold, where each cluster is associated with a fixed-degree polynomial. We present a training strategy that leverages the expectation maximization (EM) algorithm. During the training, we alternate between (i) applying gradient descent to update the DNN coefficients; and (ii) using closed-form formulae derived from the EM algorithm to update the mixture of experts model parameters. Under the probabilistic formulation, step (ii) admits the form of embarrassingly paralleliazable weighted least-squares solves. The PPOU-Nets consistently outperform the baseline fully-connected neural networks of comparable sizes in numerical experiments of various data dimensions. Here, we also explore the proposed model in applications of quantum computing, where the PPOU-Nets act as surrogate models for cost landscapes associated with variational quantum circuits.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Efficient learning of power grid voltage control strategies via model-based deep reinforcement learning

Here this article proposes a model-based deep reinforcement learning (DRL) method to design emergency control strategies for short-term voltage stability problems in power systems. Recent advances show promising results for model-free DRL-based methods in power systems control problems. But in power systems applications, these model-free methods have certain issues related to training time (clock time) and sample efficiency; both are critical for making state-of-the-art DRL algorithms practically applicable. DRL-agent learns an optimal policy via a trial-and-error method while interacting with the real-world environment. It is also desirable to minimize the direct interaction of the DRL agent with the real-world power grid due to its safety-critical nature. Additionally, the state-of-the-art DRL-based policies are mostly trained using a physics-based grid simulator where dynamic simulation is computationally intensive, lowering the training efficiency. We propose a novel model-based DRL framework where a deep neural network (DNN)-based dynamic surrogate model (SM), instead of a real-world power grid or physics-based simulation, is utilized within the policy learning framework, making the process faster and more sample efficient. However, having stable training in model-based DRL is challenging because of the complex system dynamics of large-scale power systems. We addressed these issues by incorporating imitation learning to have a warm start in policy learning, reward-shaping, and multi-step loss in surrogate model training. Finally, we achieved 97.5% reduction in samples and 87.7% reduction in training time for an application to the IEEE 300-bus test system.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Multi-objective surrogate-assisted calibration of CPFEM models using macroscopic response and in situ EBSD measurements of grain reorientation trajectories

Crystal plasticity finite element method (CPFEM) models are widely used to simulate the deformation behaviour of polycrystalline materials, but their calibration is often limited by their high computational cost and the non-convexity of the optimisation landscape. Here, this study develops a multi-objective surrogate-assisted calibration workflow that couples a multi-objective genetic algorithm (MOGA) with an adaptively trained deep neural network (DNN) surrogate model to efficiently identify CPFEM parameters from experimental data. The workflow is demonstrated on three crystal plasticity (CP) formulations of increasing complexity — Voce hardening (VH), two-coefficient latent hardening (LH2), and six-coefficient latent hardening (LH6) — using in situ electron backscatter diffraction (EBSD) measurements of Alloy 617 under uniaxial tensile loading. The CPFEM models are calibrated against the experimentally observed stress–strain response and reorientation trajectories of eight grains, then validated against eight additional trajectories and overall texture evolution. Across the CP formulations, the macroscopic response was reproduced reliably, while differences emerged in the robustness and accuracy of the grain-scale predictions. Including grain reorientation trajectories in the multi-objective calibration improved texture evolution predictions and filtered out physically inconsistent parameter sets that can arise from calibrating against only the stress–strain data. The workflow also demonstrates good transferability of calibrated parameters from a low- to a high-fidelity microstructural model. These results provide practical guidance for integrating in situ microstructural data into CPFEM through efficient, repeatable, and physically meaningful multi-objective calibration.

Crystal plasticity finite element method↗