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Results for “variational autoencoder”

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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222 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Efficient mapping between void shapes and stress fields using Deep Convolutional Neural Networks with sparse data

Establishing fast and accurate structure-to-property relationships is an important component in the design and discovery of advanced materials. Physics-based simulation models like the finite element method (FEM) are often used to predict deformation, stress, and strain fields as a function of material microstructure in material and structural systems. Such models may be computationally expensive and time intensive if the underlying physics of the system is complex. This limits their application to solve inverse design problems and identify structures that maximize performance. In such scenarios, surrogate models are employed to make the forward mapping computationally efficient to evaluate. However, the high dimensionality of the input microstructure and the output field of interest often renders such surrogate models inefficient, especially when dealing with sparse data. Deep convolutional neural network (CNN) based surrogate models have shown great promise in handling such high-dimensional problems. In this paper, a single ellipsoidal void structure under a uniaxial tensile load represented by a linear elastic, high-dimensional and expensive-to-query, FEM model. We consider two deep CNN architectures, a modified convolutional autoencoder framework with a fully connected bottleneck and a UNet CNN, and compare their accuracy in predicting the von Mises stress field for any given input void shape in the FEM model. Additionally, a sensitivity analysis study is performed using the two approaches, where the variation in the prediction accuracy on unseen test data is studied through numerical experiments by varying the number of training samples from 20 to 100.

surrogate modeling; convolutional neural networks;↗
DOE OSTI2022

Data-driven wind turbine wake modeling via probabilistic machine learning

Wind farm design primarily depends on the variability of the wind turbine wake flows to the atmospheric wind conditions and the interaction between wakes. Physics-based models that capture the wake flow field with high-fidelity are computationally very expensive to perform layout optimization of wind farms, and, thus, data-driven reduced-order models can represent an efficient alternative for simulating wind farms. In this work, we use real-world light detection and ranging (LiDAR) measurements of wind-turbine wakes to construct predictive surrogate models using machine learning. Specifically, we first demonstrate the use of deep autoencoders to find a low-dimensional latent space that gives a computationally tractable approximation of the wake LiDAR measurements. Then, we learn the mapping between the parameter space and the (latent space) wake flow fields using a deep neural network. Additionally, we also demonstrate the use of a probabilistic machine learning technique, namely, Gaussian process modeling, to learn the parameter-space-latent-space mapping in addition to the epistemic and aleatoric uncertainty in the data. Finally, to cope with training large datasets, we demonstrate the use of variational Gaussian process models that provide a tractable alternative to the conventional Gaussian process models for large datasets. Furthermore, we introduce the use of active learning to adaptively build and improve a conventional Gaussian process model predictive capability. Overall, we find that our approach provides accurate approximations of the wind-turbine wake flow field that can be queried at an orders-of-magnitude cheaper cost than those generated with high-fidelity physics-based simulations.

Deep neural networks↗
DOE OSTI2025

Applications of Nickelate perovskites for neuromorphic computing from electronic structure and Machine Learning

While the limit of Moore's law is presently being reached with current microelectronic technologies, we need to develop new paradigms that overcome this limitation. In that respect, neuromorphic computing is a concept that emulates the neural behavior and response of the human brain, and it has been recognized as a promising alternative approach. In this research project, we will perform multi-fidelity scale bridging to explore the potential use of materials with metal to insulator transition for neuromorphic applications. In particular, rare earth nickelates are promising for such purposes, as the transition in these materials is quite sensitive to a broad set of different external stimuli. Our multi-fidelity approach will bridge the high-fidelity electronic structure calculations with classical potentials. We will bridge dynamical mean field theory with a classical atomistic representation via a deep learning force field. The neural network is trained with energies, charges, and forces obtained by accurate electronic structure theories based on Dynamical Mean Field Theory. The configurational space is generated from known crystal phases, ab initio molecular dynamics with exchange-correlation functionals corrected with the Hubbard model, disordered phases with different concentrations of oxygen vacancies, and nonsymmetrical positions and induced strain by grain interfaces or contact with a substrate. Strategies to train the model with a reduced number of training examples are obtained from active learning methods, and new structures for improving the learning process are generated by using machine learning autoencoders. This classical potential will be validated through a diversity of electronic structure methods and represents an important step to combine the flexibility and accuracy of first-principles with the speed of classical potentials. The generated multi-fidelity surrogate model will be used to understand the role of strain, oxygen vacancies, proton doping, the variation of the crystal phase, substrate effects, vibrational effects as the octahedral rotation, grain boundaries and defect effects on the response of a Metal to Insulator Transition (MIT) in correlated materials. Long time and large-scale simulations will help understand the role of different stimuli to control the hysteresis of the MIT, as it has been experimentally suggested. Selected configurations will be analyzed with higher-level theories to provide an accurate electronic description and to study how the orbitals and charges are rearranged under different conditions.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Compression of Solar Spectroscopic Observations: a Case Study of MgII k Spectral Line Profiles Observed by NASA’s IRIS Satellite

In this study we extract the deep features and investigate the compression of the MgII k spectral line profiles observed in quiet Sun regions by NASA’s IRIS satellite. The data set of line profiles used for the analysis was obtained on April 20th, 2020, at the center of the solar disc, and contains almost 300,000 individual MgII k line profiles after data cleaning. The data are separated into train and test subsets. The train subset was used to train the autoencoder of the varying embedding layer size. The early stopping criterion was implemented on the test subset to prevent the model from overfitting. Our results indicate that it is possible to compress the spectral line profiles more than 27 times (which corresponds to the reduction of the data dimensionality from 110 to 4) while having a 4DN average reconstruction error, which is comparable to the variations in the line continuum. The mean squared error and the reconstruction error of even statistical moments sharply decrease when the dimensionality of the embedding layer increases from 1 to 4 and almost stop decreasing for higher numbers. The observed occasional improvements in training for values higher than 4 indicate that a better compact embedding may potentially be obtained if other training strategies and longer training times are used. The features learned for the critical four-dimensional case can be interpreted. In particular, three of these four features mainly control the line width, line asymmetry, and line dip formation respectively. The presented results are the first attempt to obtain a compact embedding for spectroscopic line profiles and confirm the value of this approach, in particular for feature extraction, data compression, and denoising.

SMD↗
DOE OSTI2025

Improved guided-wave acoustic defect detection and localization in pipes under varying temperature conditions using deep learning

Early defect detection in pipelines is critical across industries, particularly in the oil and gas sector, where failures result in significant maintenance costs and operational disruptions. Acoustic guided-wave techniques are widely used for nondestructive evaluation of pipeline defects due to their long-distance propagation capability. However, environmental variations, sensitivity limitations, and complex signal interpretation challenges limit the effectiveness of traditional signal processing approaches with guided-wave signals. Recent advances in deep learning methods have demonstrated remarkable success in solving complex real-world problems in many fields. In particular, deep-learning-based signal processing holds substantial promise to overcome limitations and challenges of conventional signal processing. This study presents a deep learning framework for pipeline inspection using acoustic guided-wave signals under temperature varying environments. The proposed framework employs a dual-path one-dimensional convolutional autoencoder that combines defect detection, localization, and temperature prediction functions. The proposed system utilizes multi-mode and broadband acoustic waves with an optimized number of sensors that provide high accuracy while retaining practical simplicity. Experimental validation is performed on a carbon steel pipe. The results indicate exceptional defect detection accuracy and precise defect localization with a mean absolute error of 66 mm. The proposed technique also predicts the effective average temperature of the pipe with a mean absolute error of 0.2°C. Comparative analysis shows superior performance of the proposed method over a traditional method previously developed by the authors' team. These results highlight the potential of integrating deep learning methods into guided-wave pipeline inspection systems to improve reliability under varying environmental conditions.

42 ENGINEERING↗
DOE OSTI2022

Multifidelity Ensemble Kalman Filtering Using Surrogate Models Defined by Theory-Guided Autoencoders

Data assimilation is a Bayesian inference process that obtains an enhanced understanding of a physical system of interest by fusing information from an inexact physics-based model, and from noisy sparse observations of reality. The multifidelity ensemble Kalman filter (MFEnKF) recently developed by the authors combines a full-order physical model and a hierarchy of reduced order surrogate models in order to increase the computational efficiency of data assimilation. The standard MFEnKF uses linear couplings between models, and is statistically optimal in case of Gaussian probability densities. This work extends the MFEnKF into to make use of a broader class of surrogate model such as those based on machine learning methods such as autoencoders non-linear couplings in between the model hierarchies. We identify the right-invertibility property for autoencoders as being a key predictor of success in the forecasting power of autoencoder-based reduced order models. We propose a methodology that allows us to construct reduced order surrogate models that are more accurate than the ones obtained via conventional linear methods. Numerical experiments with the canonical Lorenz'96 model illustrate that nonlinear surrogates perform better than linear projection-based ones in the context of multifidelity ensemble Kalman filtering. We additionality show a large-scale proof-of-concept result with the quasi-geostrophic equations, showing the competitiveness of the method with a traditional reduced order model-based MFEnKF.

97 MATHEMATICS AND COMPUTING↗