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At least 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Phase retrieval for refraction-enhanced x-ray radiography using a deep neural network

X-ray refraction-enhanced radiography (RER) or phase contrast imaging is widely used to study internal discontinuities within materials. The resulting radiograph captures both the decrease in intensity caused by material absorption along the x-ray path, as well as the phase shift, which is highly sensitive to gradients in density. A significant challenge lies in effectively analyzing the radiographs to decouple the intensity and phase information and accurately ascertain the density profile. Conventional algorithms often yield ambiguous and unrealistic results due to difficulties in including physical constraints and other relevant information. We have developed an algorithm that uses a deep neural network to address these issues and applied it to extract the detailed density profile from an experimental RER. To generalize the applicability of our algorithm, we have developed a technique that quantitatively evaluates the complexity of the phase retrieval process based on the characteristics of the sample and the configuration of the experiment. Accordingly, this evaluation aids in the selection of the neural network architecture for each specific case. Beyond RER, the model has potential applications for other diagnostics where phase retrieval analysis is required.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

A fast and accurate physics-informed neural network reduced order model with shallow masked autoencoder

Traditional linear subspace reduced order models (LS-ROMs) are able to accelerate physical simulations in which the intrinsic solution space falls into a subspace with a small dimension, i.e., the solution space has a small Kolmogorov n-width. However, for physical phenomena not of this type, e.g., any advection-dominated flow phenomena such as in traffic flow, atmospheric flows, and air flow over vehicles, a low-dimensional linear subspace poorly approximates the solution. To address cases such as these, we have developed a fast and accurate physics-informed neural network ROM, namely nonlinear manifold ROM (NM-ROM), which can better approximate high-fidelity model solutions with a smaller latent space dimension than the LS-ROMs. Our method takes advantage of the existing numerical methods that are used to solve the corresponding full order models. The efficiency is achieved by developing a hyper-reduction technique in the context of the NM-ROM. Numerical results show that neural networks can learn a more efficient latent space representation on advection-dominated data from 1D and 2D Burgers' equations. A speedup of up to 2.6 for 1D Burgers' and a speedup of 11.7 for 2D Burgers' equations are achieved with an appropriate treatment of the nonlinear terms through a hyper-reduction technique. Lastly, a posteriori error bounds for the NM-ROMs are derived that take account of the hyper-reduced operators.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2002

Verification and Validation of Neural Networks for Aerospace Systems

The Dryden Flight Research Center V&V working group and NASA Ames Research Center Automated Software Engineering (ASE) group collaborated to prepare this report. The purpose is to describe V&V processes and methods for certification of neural networks for aerospace applications, particularly adaptive flight control systems like Intelligent Flight Control Systems (IFCS) that use neural networks. This report is divided into the following two sections: Overview of Adaptive Systems and V&V Processes/Methods.

Mackall, Dale↗
NASA NTRS2002

Verification and Validation of Neural Networks for Aerospace Systems

The Dryden Flight Research Center V&V working group and NASA Ames Research Center Automated Software Engineering (ASE) group collaborated to prepare this report. The purpose is to describe V&V processes and methods for certification of neural networks for aerospace applications, particularly adaptive flight control systems like Intelligent Flight Control Systems (IFCS) that use neural networks. This report is divided into the following two sections: 1) Overview of Adaptive Systems; and 2) V&V Processes/Methods.

Mackall, Dale↗
DOE OSTI2023

Physics–Informed Neural Networks of the Saint–Venant Equations for Downscaling a Large–Scale River Model

Large-scale river models are being refined over coastal regions to improve the scientific understanding of coastal processes, hazards and responses to climate change. However, coarse mesh resolutions and approximations in physical representations of tidal rivers limit the performance of such models at resolving the complex flow dynamics near the river-ocean interface, resulting in inaccurate simulations of flood inundation. In this research, we propose a machine learning (ML) framework based on the state-of-the-art physics-informed neural network (PINN) to simulate the downscaled flow at the subgrid scale. First, we demonstrate that PINN is able to assimilate observations of various types and solve the one-dimensional (1-D) Saint-Venant equations (SVE) directly. We perform the flow simulations over a floodplain and along an open channel in several synthetic case studies. The PINN performance is evaluated against analytical solutions and numerical models. Our results indicate that the PINN solutions of water depth have satisfactory accuracy with limited observations assimilated. In the case of flood wave propagation induced by storm surge and tide, a new neural network architecture is proposed based on Fourier feature embeddings that seamlessly encodes the periodic tidal boundary condition in the PINN's formulation. Furthermore, we show that the PINN-based downscaling can produce more reasonable subgrid solutions of the along-channel water depth by assimilating observational data. The PINN solution outperforms the simple linear interpolation in resolving the topography and dynamic flow regimes at the subgrid scale. This study provides a promising path towards improving emulation capabilities in large-scale models to characterize fine-scale coastal processes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Inferring low-dimensional microstructure representations using convolutional neural networks

We apply here recent advances in machine learning and computer vision to a central problem in materials informatics: the statistical representation of microstructural images. We use activations in a pretrained convolutional neural network to provide a high-dimensional characterization of a set of synthetic microstructural images. Next, we use manifold learning to obtain a low-dimensional embedding of this statistical characterization. We show that the low-dimensional embedding extracts the parameters used to generate the images. Finally, according to a variety of metrics, the convolutional neural network method yields dramatically better embeddings than the analogous method derived from two-point correlations alone.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Neural-network learning of SPOD latent dynamics

Here, we aim to reconstruct the latent space dynamics of high dimensional, quasi-stationary systems using model order reduction via the spectral proper orthogonal decomposition (SPOD). The proposed method is based on three fundamental steps: in the first, once that the mean flow field has been subtracted from the realizations (also referred to as snapshots), we compress the data from a high-dimensional representation to a lower dimensional one by constructing the SPOD latent space; in the second, we build the time-dependent coefficients by projecting the snapshots containing the fluctuations onto the SPOD basis and we learn their evolution in time with the aid of recurrent neural networks; in the third, we reconstruct the high-dimensional data from the learnt lower -dimensional representation. The proposed method is demonstrated on two different test cases, namely, a compressible jet flow, and a geophysical problem known as the Madden-Julian Oscillation. An extensive comparison between SPOD and the equivalent POD-based counterpart is provided and differences between the two approaches are highlighted. The numerical results suggest that the proposed model is able to provide low rank predictions of complex statistically stationary data and to provide insights into the evolution of phenomena characterized by specific range of frequencies. The comparison between POD and SPOD surrogate strategies highlights the need for further work on the characterization of the interplay of error between data reduction techniques and neural network forecasts.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2011

Neural Networks Based Approach to Enhance Space Hardware Reliability

This paper demonstrates the use of Neural Networks as a device modeling tool to increase the reliability analysis accuracy of circuits targeted for space applications. The paper tackles a number of case studies of relevance to the design of Flight hardware. The results show that the proposed technique generates more accurate models than the ones regularly used to model circuits.

Neural Networks↗
DOE OSTI2013

DETECTING ACTIVE GALACTIC NUCLEI USING MULTI-FILTER IMAGING DATA. II. INCORPORATING ARTIFICIAL NEURAL NETWORKS

This is the second paper of the series Detecting Active Galactic Nuclei Using Multi-filter Imaging Data. In this paper we review shapelets, an image manipulation algorithm, which we employ to adjust the point-spread function (PSF) of galaxy images. This technique is used to ensure the image in each filter has the same and sharpest PSF, which is the preferred condition for detecting AGNs using multi-filter imaging data as we demonstrated in Paper I of this series. We apply shapelets on Canada-France-Hawaii Telescope Legacy Survey Wide Survey ugriz images. Photometric parameters such as effective radii, integrated fluxes within certain radii, and color gradients are measured on the shapelets-reconstructed images. These parameters are used by artificial neural networks (ANNs) which yield: photometric redshift with an rms of 0.026 and a regression R-value of 0.92; galaxy morphological types with an uncertainty less than 2 T types for z ≤ 0.1; and identification of galaxies as AGNs with 70% confidence, star-forming/starburst (SF/SB) galaxies with 90% confidence, and passive galaxies with 70% confidence for z ≤ 0.1. The incorporation of ANNs provides a more reliable technique for identifying AGN or SF/SB candidates, which could be very useful for large-scale multi-filter optical surveys that also include a modest set of spectroscopic data sufficient to train neural networks.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Monitoring Fracture Saturation With Internal Seismic Sources and Twin Neural Networks

Seismic coda-wave analysis is a well-developed method for detecting subtle physical changes in complex media by measuring arrival times in the late-arriving energy from multiply scattered or reflected waves. However, a challenge arises when multiply scattered waves are not sufficiently separated in time from the direct arrivals to provide a clear coda wave train. Additional complications for monitoring changes in fracture systems arise when the signals originate from unsynchronized internal sources, such as natural or induced seismicity, from acoustic emission, or from transportable intra-fracture sources (chattering dust), that generate uncontrolled signals that vary in arrival time, amplitude and frequency content. Here, we use a twin neural network (TNN also known as a Siamese neural network) for dimensionality reduction to analyze signals from chattering dust to classify the fluid saturation state of a synthetic fracture system. The TNN with shared weights generates a low-dimensional representation of the data input by minimizing contrastive loss, serving as the input to a multiclass classifier that accurately classifies whether multiple fractures in a fracture system are fully saturated or partially saturated, or whether a change in saturation has occurred in different fractures in the system. Furthermore, these results show that information buried in unresolved codas from uncontrolled sources can be extracted using machine learning to monitor the evolution of fracture systems caused by physical and chemical processes even when the scattered and direct wave fields overlap.

58 GEOSCIENCES↗
DOE OSTI2022

Pose Classification Using Three-Dimensional Atomic Structure-Based Neural Networks Applied to Ion Channel–Ligand Docking

The identification of promising lead compounds showing pharmacological activities toward a biological target is essential in early stage drug discovery. With the recent increase in available small-molecule databases, virtual high-throughput screening using physics-based molecular docking has emerged as an essential tool in assisting fast and cost-efficient lead discovery and optimization. However, the best scored docking poses are often suboptimal, resulting in incorrect screening and chemical property calculation. We address the pose classification problem by leveraging data-driven machine learning approaches to identify correct docking poses from AutoDock Vina and Glide screens. To enable effective classification of docking poses, we present two convolutional neural network approaches: a three-dimensional convolutional neural network (3D-CNN) and an attention-based point cloud network (PCN) trained on the PDBbind refined set. We demonstrate the effectiveness of our proposed classifiers on multiple evaluation data sets including the standard PDBbind CASF-2016 benchmark data set and various compound libraries with structurally different protein targets including an ion channel data set extracted from Protein Data Bank (PDB) and an in-house KCa3.1 inhibitor data set. Our experiments show that excluding false positive docking poses using the proposed classifiers improves virtual high-throughput screening to identify novel molecules against each target protein compared to the initial screen based on the docking scores.

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

Exploring the nexus of many-body theories through neural network techniques: the tangent model

Abstract In this paper, we present a physically informed neural network (NN) representation of the effective interactions associated with coupled-cluster downfolding models to describe chemical systems and processes. The NN representation not only allows us to evaluate the effective interactions efficiently for various geometrical configurations of chemical systems corresponding to various levels of complexity of the underlying wave functions, but also reveals that the bare and effective interactions are related by a tangent function of some latent variables. We refer to this characterization of the effective interaction as a tangent model. We discuss the connection between this tangent model for the effective interaction with the previously developed theoretical analysis that examines the difference between the bare and effective Hamiltonians in the corresponding active spaces.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Physics-constrained 3D convolutional neural networks for electrodynamics

We present a physics-constrained neural network (PCNN) approach to solving Maxwell’s equations for the electromagnetic fields of intense relativistic charged particle beams. We create a 3D convolutional PCNN to map time-varying current and charge densities J(r, t) and ρ(r, t) to vector and scalar potentials A(r, t) and φ(r, t) from which we generate electromagnetic fields according to Maxwell’s equations: B = ∇ × A and E = −∇φ − ∂A/∂t. Our PCNNs satisfy hard constraints, such as ∇ · B = 0, by construction. Soft constraints push A and φ toward satisfying the Lorenz gauge.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Exact block encoding of imaginary time evolution with universal quantum neural networks

We develop a constructive approach to generate quantum neural networks capable of representing the exact thermal states of all many-body qubit Hamiltonians. The Trotter expansion of the imaginary time propagator is implemented through an exact block encoding by means of a unitary, restricted Boltzmann machine architecture. Marginalization over the hidden-layer neurons (auxiliary qubits) creates the nonunitary action on the visible layer. Then, we introduce a unitary deep Boltzmann machine architecture in which the hidden-layer qubits are allowed to couple laterally to other hidden qubits. We prove that this wave-function is closed under the action of the imaginary time propagator and, more generally, can represent the action of a universal set of quantum gate operations. We provide analytic expressions for the coefficients for both architectures, thus enabling exact network representations of thermal states without stochastic optimization of the network parameters. In the limit of large imaginary time, the yields the ground state of the system. The number of qubits grows linearly with the number of interactions and total imaginary time for a fixed interaction order. Both networks can be readily implemented on quantum hardware via midcircuit measurements of auxiliary qubits. If only one auxiliary qubit is measured and reset, the circuit depth scales linearly with imaginary time and number of interactions, while the width is constant. Alternatively, one can employ a number of auxiliary qubits linearly proportional to the number of interactions, and circuit depth grows linearly with imaginary time only. Every midcircuit measurement has a postselection success probability, and the overall success probability is equal to the product of the probabilities of the midcircuit measurements.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1988

Neural networks with hierarchically correlated patterns

The Hopfield model of neural networks is extended to allow for the storage and retrieval of hierarchically correlated patterns. The overlaps between these patterns form an ultrametric tree. Intermediate states, which serve as ancestors for the following levels, are generated at each level of the tree. The states belonging to each level are stored, by a modified learning rule, in a series of identical networks, one for each level. The retrieval of a particular pattern is preceded and assisted by the successive retrieval of its ancestors. The performance of this scheme is studied analytically and numerically.

Gutfreund, H.↗
NASA NTRS1995

Neural Networks For Demodulation Of Phase-Modulated Signals

Hopfield neural networks proposed for demodulating quadrature phase-shift-keyed (QPSK) signals carrying digital information. Networks solve nonlinear integral equations prior demodulation circuits cannot solve. Consists of set of N operational amplifiers connected in parallel, with weighted feedback from output terminal of each amplifier to input terminals of other amplifiers. Used to solve signal processing problems. Implemented as analog very-large-scale integrated circuit that achieves rapid convergence. Alternatively, implemented as digital simulation of such circuit. Also used to improve phase estimation performance over that of phase-locked loop.

Altes, Richard A.↗
NASA NTRS2004

Shortcomings with Tree-Structured Edge Encodings for Neural Networks

In evolutionary algorithms a common method for encoding neural networks is to use a tree structured assembly procedure for constructing them. Since node operators have difficulties in specifying edge weights and these operators are execution-order dependent, an alternative is to use edge operators. Here we identify three problems with edge operators: in the initialization phase most randomly created genotypes produce an incorrect number of inputs and outputs; variation operators can easily change the number of input/output (I/O) units; and units have a connectivity bias based on their order of creation. Instead of creating I/O nodes as part of the construction process we propose using parameterized operators to connect to preexisting I/O units. Results from experiments show that these parameterized operators greatly improve the probability of creating and maintaining networks with the correct number of I/O units, remove the connectivity bias with I/O units and produce better controllers for a goal-scoring task.

Hornby, Gregory S.↗