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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Fast and Accurate Predictions of Total Energy for Solid Solution Alloys with Graph Convolutional Neural Networks

We use graph convolutional neural networks (GCNNs) to produce fast and accurate predictions of the total energy of solid solution binary alloys. GCNNs allow us to abstract the lattice structure of a solid material as a graph, whereby atoms are modeled as nodes and metallic bonds as edges. This representation naturally incorporates information about the structure of the material, thereby eliminating the need for computationally expensive data pre-processing which would be required with standard neural network (NN) approaches. We train GCNNs on ab-initio density functional theory (DFT) for copper-gold (CuAu) and iron-platinum (FePt) data that has been generated by running the LSMS-3 code, which implements a locally self-consistent multiple scattering method, on OLCF supercomputers Titan and Summit. GCNN outperforms the ab-initio DFT simulation by orders of magnitude in terms of computational time to produce the estimate of the total energy for a given atomic configuration of the lattice structure. We compare the predictive performance of GCNN models against a standard NN such as dense feedforward multi-layer perceptron (MLP) by using the root-mean-squared errors to quantify the predictive quality of the deep learning (DL) models. We find that the attainable accuracy of GCNNs is at least an order of magnitude better than that of the MLP.

Lupo Pasini, Massimiliano↗
DOE OSTI2022

QONNX: Representing Arbitrary-Precision Quantized Neural Networks

We present extensions to the Open Neural Network Exchange (ONNX) intermediate representation format to represent arbitrary-precision quantized neural networks. We first introduce support for low precision quantization in existing ONNX-based quantization formats by leveraging integer clipping, resulting in two new backward-compatible variants: the quantized operator format with clipping and quantize-clip-dequantize (QCDQ) format. We then introduce a novel higher-level ONNX format called quantized ONNX (QONNX) that introduces three new operators -- Quant, BipolarQuant, and Trunc -- in order to represent uniform quantization. By keeping the QONNX IR high-level and flexible, we enable targeting a wider variety of platforms. We also present utilities for working with QONNX, as well as examples of its usage in the FINN and hls4ml toolchains. Finally, we introduce the QONNX model zoo to share low-precision quantized neural networks.

Pappalardo, Alessandro↗
DOE OSTI2020

Training Spiking Neural Networks Using Combined Learning Approaches

Spiking neural networks (SNNs), the class of neural networks used in neuromorphic computing, are difficult to train using traditional back-propagation techniques. Spike timingdependent plasticity (STDP) is a biologically inspired learning mechanism that can be used to train SNNs. Evolutionary algorithms have also been demonstrated as a method for training SNNs. In this work, we explore the relationship between these two training methodologies. We evaluate STDP and evolutionary optimization as standalone methods for training networks, and also evaluate a combined approach where STDP weight updates are applied within an evolutionary algorithm. We also apply Bayesian hyperparameter optimization as a meta learner for each of the algorithms. We find that STDP by itself is not an ideal learning rule for randomly connected networks, while the inclusion of STDP within an evolutionary algorithm leads to similar performance, with a few interesting differences. This study suggests future work in understanding the relationship between network topology and learning rules.

Elbrecht, Daniel↗
DOE OSTI2024

Generalization Across Experimental Parameters in Neural Network Analysis of High-Resolution Transmission Electron Microscopy Datasets

Neural networks are promising tools for high-throughput and accurate transmission electron microscopy (TEM) analysis of nanomaterials, but are known to generalize poorly on data that is “out-of-distribution” from their training data. Given the limited set of image features typically seen in high-resolution TEM imaging, it is unclear which images are considered out-of-distribution from others. Here, we investigate how the choice of metadata features in the training dataset influences neural network performance, focusing on the example task of nanoparticle segmentation. We train and validate neural networks across curated, experimentally collected high-resolution TEM image datasets of nanoparticles under various imaging and material parameters, including magnification, dosage, nanoparticle diameter, and nanoparticle material. Overall, we find that our neural networks are not robust across microscope parameters, but do generalize across certain sample parameters. Additionally, data preprocessing can have unintended consequences on neural network generalization. Our results highlight the need to understand how dataset features affect deployment of data-driven algorithms.

42 ENGINEERING↗
DOE OSTI2023

Runtime extension for neural network training with heterogeneous memory

Systems, apparatuses, and methods for managing buffers in a neural network implementation with heterogeneous memory are disclosed. A system includes a neural network coupled to a first memory and a second memory. The first memory is a relatively low-capacity, high-bandwidth memory while the second memory is a relatively high-capacity, low-bandwidth memory. During a forward propagation pass of the neural network, a run-time manager monitors the usage of the buffers for the various layers of the neural network. During a backward propagation pass of the neural network, the run-time manager determines how to move the buffers between the first and second memories based on the monitored buffer usage during the forward propagation pass. As a result, the run-time manager is able to reduce memory access latency for the layers of the neural network during the backward propagation pass.

Mappouras, Georgios↗
NASA NTRS2003

Development of Methodologies for IV and V of Neural Networks

Non-deterministic systems often rely upon neural network (NN) technology to "lean" to manage flight systems under controlled conditions using carefully chosen training sets. How can these adaptive systems be certified to ensure that they will become increasingly efficient and behave appropriately in real-time situations? The bulk of Independent Verification and Validation (IV&V) research of non-deterministic software control systems such as Adaptive Flight Controllers (AFC's) addresses NNs in well-behaved and constrained environments such as simulations and strict process control. However, neither substantive research, nor effective IV&V techniques have been found to address AFC's learning in real-time and adapting to live flight conditions. Adaptive flight control systems offer good extensibility into commercial aviation as well as military aviation and transportation. Consequently, this area of IV&V represents an area of growing interest and urgency. ISR proposes to further the current body of knowledge to meet two objectives: Research the current IV&V methods and assess where these methods may be applied toward a methodology for the V&V of Neural Network; and identify effective methods for IV&V of NNs that learn in real-time, including developing a prototype test bed for IV&V of AFC's. Currently. no practical method exists. lSR will meet these objectives through the tasks identified and described below. First, ISR will conduct a literature review of current IV&V technology. TO do this, ISR will collect the existing body of research on IV&V of non-deterministic systems and neural network. ISR will also develop the framework for disseminating this information through specialized training. This effort will focus on developing NASA's capability to conduct IV&V of neural network systems and to provide training to meet the increasing need for IV&V expertise in such systems.

Taylor, Brian↗
NASA NTRS1993

LVQ and backpropagation neural networks applied to NASA SSME data

Feedfoward neural networks with backpropagation learning have been used as function approximators for modeling the space shuttle main engine (SSME) sensor signals. The modeling of these sensor signals is aimed at the development of a sensor fault detection system that can be used during ground test firings. The generalization capability of a neural network based function approximator depends on the training vectors which in this application may be derived from a number of SSME ground test-firings. This yields a large number of training vectors. Large training sets can cause the time required to train the network to be very large. Also, the network may not be able to generalize for large training sets. To reduce the size of the training sets, the SSME test-firing data is reduced using the learning vector quantization (LVQ) based technique. Different compression ratios were used to obtain compressed data in training the neural network model. The performance of the neural model trained using reduced sets of training patterns is presented and compared with the performance of the model trained using complete data. The LVQ can also be used as a function approximator. The performance of the LVQ as a function approximator using reduced training sets is presented and compared with the performance of the backpropagation network.

Doniere, Timothy F.↗
DOE OSTI2024

Physics-informed neural networks for heterogeneous poroelastic media

This study presents a novel physics-informed neural network (PINN) framework for modeling poroelasticity in heterogeneous media with material interfaces. The approach introduces a composite neural network (CoNN) where separate neural networks predict displacement and pressure variables for each material. While sharing identical activation functions, these networks are independently trained for all other parameters. To address challenges posed by heterogeneous material interfaces, the CoNN is integrated with the Interface-PINNs (I-PINNs) framework (Sarma et al., Comput. Methods Appl. Mech. Eng. 429: 117135, 2024), allowing different activation functions across material interfaces. Further, this ensures accurate approximation of discontinuous solution fields and gradients. Performance and accuracy of this combined architecture were evaluated against the conventional PINNs approach, a single neural network (SNN) architecture, and the eXtended PINNs (XPINNs) framework through two one-dimensional benchmark examples with discontinuous material properties. The results show that the proposed CoNN with I-PINNs architecture achieves an RMSE that is two orders of magnitude better than the conventional PINNs approach and is at least 40 times faster than the SNN framework. Compared to XPINNs, the proposed method achieves an RMSE at least one order of magnitude better and is 40% faster.

42 ENGINEERING↗
NASA NTRS2019

Utilizing Convolutional Neural Networks for Global Seagrass Habitat Mapping

Convolutional neural networks (CNNs) are becoming an increasingly prevalent machine learning algorithm due to their high accuracy and lack of reliance on heuristic processes. One of the major drawbacks of convolutional neural networks is their reliance on large amounts of training data in order to generate sensible results. This talk will cover how our team has utilized the strengths and overcome the weaknesses of convolutional neural networks as they apply to seagrass habitat mapping. We will share our technical CNN results over time, detail the requirements and challenges that our team overcame and explore how other teams can better incorporate a stronger seagrass component into their machine learning projects.

Convolutional↗
DOE OSTI2024

Harnessing graph convolutional neural networks for identification of glassy states in metallic glasses

Graph Convolutional Neural Networks (GCNNs) have emerged as powerful tools for analyzing materials. In this study, we employ GCNNs to examine structural characteristics of CuZr metallic glasses (MGs) and identify their states. We use molecular dynamics to simulate the quenching process of CuZr, using cooling rates ranging from 10 9 to 10 15 K/s, to produce six unique glassy states. For each state, we create a dataset comprising 1,800 distinct samples. We evaluate the effectiveness of various GCNNs, including Graph Attention Neural Network (GANN), Graph Sample and AggreGatE (GraphSAGE), Graph Isomorphism Network (GIN), and Relational Graph Convolutional Neural Network (RGCN). GANN and GraphSAGE demonstrate comparable performance, achieving an overall accuracy of 81% in classifying the MG states. Furthermore, these results underscore the potential of GCNNs to detect subtle structural variances in disordered materials and point to broader application of deep learning in the analysis of MGs and other amorphous substances.

36 MATERIALS SCIENCE↗
NASA NTRS1994

A Decade of Neural Networks: Practical Applications and Prospects

The Jet Propulsion Laboratory Neural Network Workshop, sponsored by NASA and DOD, brings together sponsoring agencies, active researchers, and the user community to formulate a vision for the next decade of neural network research and application prospects. While the speed and computing power of microprocessors continue to grow at an ever-increasing pace, the demand to intelligently and adaptively deal with the complex, fuzzy, and often ill-defined world around us remains to a large extent unaddressed. Powerful, highly parallel computing paradigms such as neural networks promise to have a major impact in addressing these needs. Papers in the workshop proceedings highlight benefits of neural networks in real-world applications compared to conventional computing techniques. Topics include fault diagnosis, pattern recognition, and multiparameter optimization.

Kemeny, Sabrina E.↗
DOE OSTI2021

A scalable algorithm for the optimization of neural network architectures

In this work, we propose a new scalable method to optimize the architecture of an artificial neural network. The proposed algorithm, called Greedy Search for Neural Network Architecture, aims to determine a neural network with minimal number of layers that is at least as performant as neural networks of the same structure identified by other hyperparameter search algorithms in terms of accuracy and computational cost. Numerical results performed on benchmark datasets show that, for these datasets, our method outperforms state-of-the-art hyperparameter optimization algorithms in terms of attainable predictive performance by the selected neural network architecture, and time-to-solution for the hyperparameter optimization to complete.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1993

Application of artificial neural networks to the design optimization of aerospace structural components

The application of artificial neural networks to capture structural design expertise is demonstrated. The principal advantage of a trained neural network is that it requires trivial computational effort to produce an acceptable new design. For the class of problems addressed, the development of a conventional expert system would be extremely difficult. In the present effort, a structural optimization code with multiple nonlinear programming algorithms and an artificial neural network code NETS were used. A set of optimum designs for a ring and two aircraft wings for static and dynamic constraints were generated by using the optimization codes. The optimum design data were processed to obtain input and output pairs, which were used to develop a trained artificial neural network with the code NETS. Optimum designs for new design conditions were predicted by using the trained network. Neural net prediction of optimum designs was found to be satisfactory for most of the output design parameters. However, results from the present study indicate that caution must be exercised to ensure that all design variables are within selected error bounds.

Berke, Laszlo↗
NASA NTRS1992

Feature selection for neural networks using Parzen density estimator

A feature selection method for neural networks is proposed using the Parzen density estimator. A new feature set is selected using the decision boundary feature selection algorithm. The selected feature set is then used to train a neural network. Using a reduced feature set, an attempt is made to reduce the training time of the neural network and obtain a simpler neural network, which further reduces the classification time for test data.

Lee, Chulhee↗
DOE OSTI2022

Neural Networks for Nuclear Reactions in MAESTROeX

We demonstrate the use of neural networks to accelerate the reaction steps in the MAESTROeX stellar hydrodynamics code. A traditional MAESTROeX simulation uses a stiff ODE integrator for the reactions; here, we employ a ResNet architecture and describe details relating to the architecture, training, and validation of our networks. Our customized approach includes options for the form of the loss functions, a demonstration that the use of parallel neural networks leads to increased accuracy, and a description of a perturbational approach in the training step that robustifies the model. We test our approach on millimeter-scale flames using a single-step, 3-isotope network describing the first stages of carbon fusion occurring in Type Ia supernovae. We train the neural networks using simulation data from a standard MAESTROeX simulation, and show that the resulting model can be effectively applied to different flame configurations. This work lays the groundwork for more complex networks, and iterative time-integration strategies that can leverage the efficiency of the neural networks.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1993

Generalized Adaptive Artificial Neural Networks

Mathematical model of supervised learning by artificial neural network provides for simultaneous adjustments of both temperatures of neurons and synaptic weights, and includes feedback as well as feedforward synaptic connections. Extension of mathematical model described in "Adaptive Neurons For Artificial Neural Networks" (NPO-17803). Dynamics of neural network represented in new model by less-restrictive continuous formalism.

Tawel, Raoul↗
DOE OSTI2021

Learning constitutive relations using symmetric positive definite neural networks

In this work, we present a new neural-network architecture, called the Cholesky-factored symmetric positive definite neural network (SPD-NN), for modeling constitutive relations in computational mechanics. Instead of directly predicting the stress of the material, the SPD-NN trains a neural network to predict the Cholesky factor of the tangent stiffness matrix, based on which the stress is calculated in incremental form. As a result of this special structure, SPD-NN weakly imposes convexity on the strain energy function, satisfies the second order work criterion (Hill's criterion) and time consistency for path-dependent materials, and therefore improves numerical stability, especially when the SPD-NN is used in finite element simulations. Depending on the types of available data, we propose two training methods, namely direct training for strain and stress pairs and indirect training for loads and displacement pairs. We demonstrate the effectiveness of SPD-NN on hyperelastic, elasto-plastic, and multiscale fiber-reinforced plate problems from solid mechanics. The generality and robustness of SPD-NN make it a promising tool for a wide range of constitutive modeling applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Machine learning and atomic layer deposition: Predicting saturation times from reactor growth profiles using artificial neural networks

In this work, we explore the application of deep neural networks to the optimization of atomic layer deposition (ALD) processes. In particular, we focus on a one-shot optimization problem, where we try to predict the optimal dose time that leads to saturation everywhere in the reactor based on thickness values measured at different points of an ALD reactor after a single trial growth. In order to tackle this problem, we introduce a dataset designed to train neural networks to predict saturation times based on these inputs for a cross-flow ALD reactor. Here, we then explore the predictive ability of artificial neural networks of different depths and sizes using a separate testing dataset to evaluate their accuracies. The results obtained show that networks trained using stochastic gradient descent methods can accurately predict saturation times without requiring any additional information on the surface kinetics. This provides a viable approach to minimize the number of experiments required to optimize new ALD processes in a known reactor, and it highlights the way machine learning can be leveraged for thin film growth and manufacturing. While the datasets and training procedure depend on the reactor geometry, the trained neural networks provide a general surrogate model connecting thickness values and trial dose times with optimal saturation times that can be reused for different ALD processes within the same reactor.

36 MATERIALS SCIENCE↗