Predicting Melt Properties using Atomistic Simulations with Highly Accurate Physically Informed Neural Network Interatomic Potential
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V. I. Yamakov↗
SEARCH · Engineering Papers
Results for “neural network potential”
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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Optimal Space Station solar array gimbal angle determination via radial basis function neural networks
The potential for excessive plume impingement loads on Space Station Freedom solar arrays, caused by jet firings from an approaching Space Shuttle, is addressed. An artificial neural network is designed to determine commanded solar array beta gimbal angle for minimum plume loads. The commanded angle would be determined dynamically. The network design proposed involves radial basis functions as activation functions. Design, development, and simulation of this network design are discussed.
Clancy, Daniel J.↗
Application of a neural network as a potential aid in predicting NTF pump failure
The National Transonic Facility has three centrifugal multi-stage pumps to supply liquid nitrogen to the wind tunnel. Pump reliability is critical to facility operation and test capability. A highly desirable goal is to be able to detect a pump rotating component problem as early as possible during normal operation and avoid serious damage to other pump components. If a problem is detected before serious damage occurs, the repair cost and downtime could be reduced significantly. A neural network-based tool was developed for monitoring pump performance and aiding in predicting pump failure. Once trained, neural networks can rapidly process many combinations of input values other than those used for training to approximate previously unknown output values. This neural network was applied to establish relationships among the critical frequencies and aid in predicting failures. Training pairs were developed from frequency scans from typical tunnel operations. After training, various combinations of critical pump frequencies were propagated through the neural network. The approximated output was used to create a contour plot depicting the relationships of the input frequencies to the output pump frequency.
Rogers, James L.↗
A Comparison of Neural Networks and Fuzzy Logic Methods for Process Modeling
The goal of this work was to analyze the potential of neural networks and fuzzy logic methods to develop approximate response surfaces as process modeling, that is for mapping of input into output. Structural response was chosen as an example. Each of the many methods surveyed are explained and the results are presented. Future research directions are also discussed.
Cios, Krzysztof J.↗
Application of neural network to remote sensing of soil moisture using theoretical polarimetric backscattering coefficients
This paper investigates the potential application of neural network to inversion of soil moisture using polarimetric remote sensing data. The neural network used for the inversion of soil parameters is multi-layer perceptron trained with the back-propagation algorithm. The training data include the polarimetric backscattering coefficients obtained from theoretical surface scattering models together with an assumed nominal range of soil parameters which are comprised of the soil permittivity and surface roughness parameters. Soil permittivity is calculated from the soil moisture and the assumed soil texture based on an empirical formula at C-, L-, and P-bands. The rough surface parameters for the soil surface, which is described by the Gaussian random process, are the root-mean-square (rms) height and correlation length. For the rough surface scattering, small perturbation method is used for the L-band frequency, and Kirchhoff approximation is used for the C-band frequency to obtain the corresponding backscattering coefficients. During the training, the backscattering coefficients are the inputs to the neural net and the output from the net are compared with the desired soil parameters to adjust the interconnecting weights. The process is repeated for each input-output data entry and then for the entire training data until convergence is reached. After training, the backscattering coefficients are applied to the trained neural net to retrieve the soil parameters which are compared with the desired soil parameters to verify the effectiveness of this technique. Several cases are examined. First, for simplicity, the correlation length and rms height of the soil surface are fixed while soil moisture is varied. Soil moisture obtained using the neural networks with either L-band or C-band backscattering coefficients for the HH and VV polarizations as inputs is in good agreement with the desired soil moisture. The neural net output matches the desired output for the soil moisture range of 16 to 60 percent for the C-band case. The next case investigated is to vary both soil moisture and rms height while keeping the correlation length fixed. For this case, C-band backscattering coefficients are not sufficient for retrieving two parameters because the Kirchhoff approximation gives the same HH and VV backscattering coefficients. Therefore, the backscattering coefficients at two different frequency bands are necessary to find both the soil moisture and rms height. Finally, the neural nets are also applied to simultaneously invert soil moisture, rms height, and correlation length. Overall, the soil moisture retrieved from the neural network agrees very well with the desired soil moisture. This suggests that the neural network shows potential for retrieval of soil parameters from remote sensing data.
Wang, L.↗
Neural network based decomposition in optimal structural synthesis
The present paper describes potential applications of neural networks in the multilevel decomposition based optimal design of structural systems. The generic structural optimization problem of interest, if handled as a single problem, results in a large dimensionality problem. Decomposition strategies allow for this problem to be represented by a set of smaller, decoupled problems, for which solutions may either be obtained with greater ease or may be obtained in parallel. Neural network models derived through supervised training, are used in two distinct modes in this work. The first uses neural networks to make available efficient analysis models for use in repetitive function evaluations as required by the optimization algorithm. In the second mode, neural networks are used to represent the coupling that exists between the decomposed subproblems. The approach is illustrated by application to the multilevel decomposition-based synthesis of representative truss and frame structures.
Hajela, P.↗
Neural network structure for navigation using potential fields
A hybrid-network method for obstacle avoidance in the truck-backing system of D. Nguyen and B. Widrow (1989) is presented. A neural network technique for vehicle navigation and control in the presence of obstacles has been developed. A potential function which peaks at the surface of obstacles and has its minimum at the proper vehicle destination is computed using a network structure. The field is guaranteed not to have spurious local minima and does not have the property of flattening-out far from the goal. A feedforward neural network is used to control the steering of the vehicle using local field information. The network is trained in an obstacle-free space to follow the negative gradient of the field, after which the network is able to control and navigate the truck to its target destination in a space of obstacles which may be stationary or movable.
Plumer, Edward S.↗
Neural networks: Alternatives to conventional techniques for automatic docking
Automatic docking of orbiting spacecraft is a crucial operation involving the identification of vehicle orientation as well as complex approach dynamics. The chaser spacecraft must be able to recognize the target spacecraft within a scene and achieve accurate closing maneuvers. In a video-based system, a target scene must be captured and transformed into a pattern of pixels. Successful recognition lies in the interpretation of this pattern. Due to their powerful pattern recognition capabilities, artificial neural networks offer a potential role in interpretation and automatic docking processes. Neural networks can reduce the computational time required by existing image processing and control software. In addition, neural networks are capable of recognizing and adapting to changes in their dynamic environment, enabling enhanced performance, redundancy, and fault tolerance. Most neural networks are robust to failure, capable of continued operation with a slight degradation in performance after minor failures. This paper discusses the particular automatic docking tasks neural networks can perform as viable alternatives to conventional techniques.
Vinz, Bradley L.↗
Goal Directed Model Inversion: Learning Within Domain Constraints
Goal Directed Model Inversion (GDMI) is an algorithm designed to generalize supervised learning to the case where target outputs are not available to the learning system. The output of the learning system becomes the input to some external device or transformation, and only the output of this device or transformation can be compared to a desired target. The fundamental driving mechanism of GDMI is to learn from success. Given that a wrong outcome is achieved, one notes that the action that produced that outcome "would have been right if the outcome had been the desired one." The algorithm makes use of these intermediate "successes" to achieve the final goal. A unique and potentially very important feature of this algorithm is the ability to modify the output of the learning module to force upon it a desired syntactic structure. This differs from ordinary supervised learning in the following way: in supervised learning the exact desired output pattern must be provided. In GDMI instead, it is possible to require simply that the output obey certain rules, i.e., that it "make sense" in some way determined by the knowledge domain. The exact pattern that will achieve the desired outcome is then found by the system. The ability to impose rules while allowing the system to search for its own answers in the context of neural networks is potentially a major breakthrough in two ways: 1) it may allow the construction of networks that can incorporate immediately some important knowledge, i.e. would not need to learn everything from scratch as normally required at present, and 2) learning and searching would be limited to the areas where it is necessary, thus facilitating and speeding up the process. These points are illustrated with examples from robotic path planning and parametric design.
Colombano, Silvano P.↗
Goal Directed Model Inversion: Learning Within Domain Constraints
Goal Directed Model Inversion (GDMI) is an algorithm designed to generalize supervised learning to the case where target outputs are not available to the learning system. The output of the learning system becomes the input to some external device or transformation, and only the output of this device or transformation can be compared to a desired target. The fundamental driving mechanism of GDMI is to learn from success. Given that a wrong outcome is achieved, one notes that the action that produced that outcome "would have been right if the outcome had been the desired one." The algorithm makes use of these intermediate "successes" to achieve the final goal. A unique and potentially very important feature of this algorithm is the ability to modify the output of the learning module to force upon it a desired syntactic structure. This differs from ordinary supervised learning in the following way: in supervised learning the exact desired output pattern must be provided. In GDMI instead, it is possible to require simply that the output obey certain rules, i.e., that it "make sense" in some way determined by the knowledge domain. The exact pattern that will achieve the desired outcome is then found by the system. The ability to impose rules while allowing the system to search for its own answers in the context of neural networks is potentially a major breakthrough in two ways: (1) it may allow the construction of networks that can incorporate immediately some important knowledge, i.e., would not need to learn everything from scratch as normally required at present; and (2) learning and searching would be limited to the areas where it is necessary, thus facilitating and speeding up the process. These points are illustrated with examples from robotic path planning and parametric design.
Colombano, Silvano P.↗
Cascading a systolic array and a feedforward neural network for navigation and obstacle avoidance using potential fields
A technique is developed for vehicle navigation and control in the presence of obstacles. A potential function was devised that peaks at the surface of obstacles and has its minimum at the proper vehicle destination. This function is computed using a systolic array and is guaranteed not to have local minima. A feedfoward neural network is then used to control the steering of the vehicle using local potential field information. In this case, the vehicle is a trailer truck backing up. Previous work has demonstrated the capability of a neural network to control steering of such a trailer truck backing to a loading platform, but without obstacles. Now, the neural network was able to learn to navigate a trailer truck around obstacles while backing toward its destination. The network is trained in an obstacle free space to follow the negative gradient of the field, after which the network is able to control and navigate the truck to its target destination in a space of obstacles which may be stationary or movable.
Plumer, Edward S.↗
The Design of Stable Nonlinear Controllers for a Class of Nonlinear Plants Based on Neutral Networks
Extensive empirical evidence has been published in the literature to demonstrate the enormous potential of multilayer neural network controllers. In spite of these results, practical implementation of these control schemes has been held back by the lack of an analytical proof of the stability of the controlled system. The objective of this paper is to present a nonlinear control scheme based on multilayer neural networks for the control of a class of nonlinear plants. The stability of the closed loop system will be rigorously established.
Adetona, Olawale↗
Neural Networks in Nonlinear Aircraft Control
Recent research indicates that artificial neural networks offer interesting learning or adaptive capabilities. The current research focuses on the potential for application of neural networks in a nonlinear aircraft control law. The current work has been to determine which networks are suitable for such an application and how they will fit into a nonlinear control law.
Linse, Dennis J.↗
Feasibility of Using Neural Network Models to Accelerate the Testing of Mechanical Systems
Verification testing is an important aspect of the design process for mechanical mechanisms, and full-scale, full-length life testing is typically used to qualify any new component for use in space. However, as the required life specification is increased, full-length life tests become more costly and lengthen the development time. At the NASA Lewis Research Center, we theorized that neural network systems may be able to model the operation of a mechanical device. If so, the resulting neural network models could simulate long-term mechanical testing with data from a short-term test. This combination of computer modeling and short-term mechanical testing could then be used to verify the reliability of mechanical systems, thereby eliminating the costs associated with long-term testing. Neural network models could also enable designers to predict the performance of mechanisms at the conceptual design stage by entering the critical parameters as input and running the model to predict performance. The purpose of this study was to assess the potential of using neural networks to predict the performance and life of mechanical systems. To do this, we generated a neural network system to model wear obtained from three accelerated testing devices: 1) A pin-on-disk tribometer; 2) A line-contact rub-shoe tribometer; 3) A four-ball tribometer.
Fusaro, Robert L.↗
Physically-Informed Artificial Neural Networks for Atomistic Modeling of Materials
A new approach is presented for the development of classical interatomic potentials using physically-informed neural networks (PINN) combined with an analytical bond-order atomic interaction model. Due to the strong physical underpinnings, the PINN potentials demonstrate much better transferability than the existing machine-learning potentials while drastically improving the accuracy in comparison with traditional potentials. PINN potentials can be constructed for both metallic and covalent materials in a unified manner. A number of applications of PINN potentials to large-scale molecular dynamics and Monte Carlo simulations and calculation of thermal and mechanical properties of diverse materials are demonstrated. Some of the specific materials systems include silicon and aluminum, as well as alloys and compounds. Computational aspects of PINN potentials are discussed and future developments in this field are outlined.
J Hickman↗
AladynPi – Adaptive Neural Network Molecular Dynamics Simulation Code with Physically Informed Potential: Computational Materials Mini-Application
This report provides an overview and description of commands used in the Computational Materials mini-application, AladynPi. AladynPi is an extension of a previously released mini-application, Aladyn (https://github.com/nasa/aladyn; Yamakov, V.I., and Glaessgen, E.H., NASA/TM-2018-220104). Aladyn and AladynPi are basic molecular dynamics codes written in FORTRAN 2003, which are designed to demonstrate the use of adaptive neural networks (ANNs) in atomistic simulations. The role of ANNs is to efficiently reproduce the very complex energy landscape resulting from the atomic interactions in materials with the accuracy of the more expensive quantum mechanics-based calculations. The ANN is trained on a large set of atomic structures calculated using the density functional theory method. An input for the ANN is a set of structure coefficients, characterizing the local atomic environment of each atom, for which the atomic energy is obtained in the ANN inference process. In Aladyn, the ANN gives directly the energy of interatomic interactions. In AladynPi, the ANN gives optimized parameters for a predefined empirical function, known as bond-order-potential (BOP). The parameterized BOP function is then used to calculate the energy. AladynPi code is being released to serve as a training testbed for students and professors in academia to explore possible optimization algorithms for parallel computing on multicore central processing unit (CPU) computers or computers utilizing manycore architectures based on graphic processing units (GPUs). The effort is supported by the High Performance Computing incubator (HPCi) project at NASA Langley Research Center.
Yamakov, Vesselin I.↗
Neural networks for aircraft control
Current research in Artificial Neural Networks indicates that networks offer some potential advantages in adaptation and fault tolerance. This research is directed at determining the possible applicability of neural networks to aircraft control. The first application will be to aircraft trim. Neural network node characteristics, network topology and operation, neural network learning and example histories using neighboring optimal control with a neural net are discussed.
Linse, Dennis↗
Artificial neural network classification using a minimal training set - Comparison to conventional supervised classification
Recent research has shown an artificial neural network (ANN) to be capable of pattern recognition and the classification of image data. This paper examines the potential for the application of neural network computing to satellite image processing. A second objective is to provide a preliminary comparison and ANN classification. An artificial neural network can be trained to do land-cover classification of satellite imagery using selected sites representative of each class in a manner similar to conventional supervised classification. One of the major problems associated with recognition and classifications of pattern from remotely sensed data is the time and cost of developing a set of training sites. This reseach compares the use of an ANN back propagation classification procedure with a conventional supervised maximum likelihood classification procedure using a minimal training set. When using a minimal training set, the neural network is able to provide a land-cover classification superior to the classification derived from the conventional classification procedure. This research is the foundation for developing application parameters for further prototyping of software and hardware implementations for artificial neural networks in satellite image and geographic information processing.
Hepner, George F.↗