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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 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Modular, Multilayer Perceptron

Combination of proposed modular, multilayer perceptron and algorithm for its operation recognizes new objects after relatively brief retraining sessions. (Perceptron is multilayer, feedforward artificial neural network fully connected and trained via back-propagation learning algorithm.) Knowledge pertaining to each object to be recognized resides in subnetwork of full network, therefore not necessary to retrain full network to recognize each new object.

Cheng, Li-Jen↗
NASA NTRS1992

A conjugate gradients/trust regions algorithms for training multilayer perceptrons for nonlinear mapping

This paper addresses the issue of applying a globally convergent optimization algorithm to the training of multilayer perceptrons, a class of Artificial Neural Networks. The multilayer perceptrons are trained towards the solution of two highly nonlinear problems: (1) signal detection in a multi-user communication network, and (2) solving the inverse kinematics for a robotic manipulator. The research is motivated by the fact that a multilayer perceptron is theoretically capable of approximating any nonlinear function to within a specified accuracy. The algorithm that has been employed in this study combines the merits of two well known optimization algorithms, the Conjugate Gradients and the Trust Regions Algorithms. The performance is compared to a widely used algorithm, the Backpropagation Algorithm, that is basically a gradient-based algorithm, and hence, slow in converging. The performances of the two algorithms are compared with the convergence rate. Furthermore, in the case of the signal detection problem, performances are also benchmarked by the decision boundaries drawn as well as the probability of error obtained in either case.

Madyastha, Raghavendra K.↗
NASA NTRS1992

A multilayer perceptron solution to the match phase problem in rule-based artificial intelligence systems

In rule-based AI planning, expert, and learning systems, it is often the case that the left-hand-sides of the rules must be repeatedly compared to the contents of some 'working memory'. The traditional approach to solve such a 'match phase problem' for production systems is to use the Rete Match Algorithm. Here, a new technique using a multilayer perceptron, a particular artificial neural network model, is presented to solve the match phase problem for rule-based AI systems. A syntax for premise formulas (i.e., the left-hand-sides of the rules) is defined, and working memory is specified. From this, it is shown how to construct a multilayer perceptron that finds all of the rules which can be executed for the current situation in working memory. The complexity of the constructed multilayer perceptron is derived in terms of the maximum number of nodes and the required number of layers. A method for reducing the number of layers to at most three is also presented.

Sartori, Michael A.↗
NASA NTRS1993

Conventional modeling of the multilayer perceptron using polynomial basis functions

A technique for modeling the multilayer perceptron (MLP) neural network, in which input and hidden units are represented by polynomial basis functions (PBFs), is presented. The MLP output is expressed as a linear combination of the PBFs and can therefore be expressed as a polynomial function of its inputs. Thus, the MLP is isomorphic to conventional polynomial discriminant classifiers or Volterra filters. The modeling technique was successfully applied to several trained MLP networks.

Chen, Mu-Song↗
NASA NTRS2004

Algorithm for Training a Recurrent Multilayer Perceptron

An improved algorithm has been devised for training a recurrent multilayer perceptron (RMLP) for optimal performance in predicting the behavior of a complex, dynamic, and noisy system multiple time steps into the future. [An RMLP is a computational neural network with self-feedback and cross-talk (both delayed by one time step) among neurons in hidden layers]. Like other neural-network-training algorithms, this algorithm adjusts network biases and synaptic-connection weights according to a gradient-descent rule. The distinguishing feature of this algorithm is a combination of global feedback (the use of predictions as well as the current output value in computing the gradient at each time step) and recursiveness. The recursive aspect of the algorithm lies in the inclusion of the gradient of predictions at each time step with respect to the predictions at the preceding time step; this recursion enables the RMLP to learn the dynamics. It has been conjectured that carrying the recursion to even earlier time steps would enable the RMLP to represent a noisier, more complex system.

Parlos, Alexander G.↗
NASA NTRS1992

Multilayer perceptron, fuzzy sets, and classification

A fuzzy neural network model based on the multilayer perceptron, using the back-propagation algorithm, and capable of fuzzy classification of patterns is described. The input vector consists of membership values to linguistic properties while the output vector is defined in terms of fuzzy class membership values. This allows efficient modeling of fuzzy or uncertain patterns with appropriate weights being assigned to the backpropagated errors depending upon the membership values at the corresponding outputs. During training, the learning rate is gradually decreased in discrete steps until the network converges to a minimum error solution. The effectiveness of the algorithm is demonstrated on a speech recognition problem. The results are compared with those of the conventional MLP, the Bayes classifier, and the other related models.

Pal, Sankar K.↗
NASA NTRS1990

Fault characterization of a multilayered perceptron network

The results of a set of simulation experiments conducted to quantify the effects of faults in a classification network implemented as a three-layered perception model are reported. The percentage of vectors misclassified by the classification network, the time taken for the network to stabilize, and the output values are measured. The results show that both transient and permanent faults have a significant impact on the performance of the network. Transient faults are also found to cause the network to be increasingly unstable as the duration of a transient is increased. The average percentage of the vectors misclassified is about 25 percent; after relearning, this is reduced to 10 percent. The impact of link faults is relatively insignificant in comparison with node faults (1 percent versus 19 percent misclassified after relearning). A study of the impact of hardware redundancy shows a linear increase in misclassifications with increasing hardware size.

Tan, Chang H.↗
NASA NTRS1992

Failure behavior identification for a space antenna via neural networks

By using neural networks, a method for the failure behavior identification of a space antenna model is investigated. The proposed method uses three stages. If a fault is suspected by the first stage of fault detection, a diagnostic test is performed on the antenna. The diagnostic test results are used by the second and third stages to identify which fault occurred and to diagnose the extent of the fault, respectively. The first stage uses a multilayer perceptron, the second stage uses a multilayer perceptron and neural networks trained with the quadratic optimization algorithm, a novel training procedure, and the third stage uses backpropagation trained neural networks.

Sartori, Michael A.↗
DOE OSTI2026

From atomistic models to machine learning: Predictive design of nanocarbons under extreme conditions

The formation of technologically valuable nanocarbon structures under extreme conditions, such as those produced during high-explosive detonations, remains poorly understood but holds significant potential for the development of controlled synthesis pathways. While detonation shockwaves provide the high-pressure, high-temperature environment required for nanodiamond formation, subsequent cooling and decompression dictate whether the diamond phase is preserved or transformed into other nanocarbon structures. Here, in this study, we employ GPU-accelerated reactive molecular dynamics (ReaxFF) simulations to investigate the graphitization and structural remodeling of detonation nanodiamond under nonlinear quench and pressure-release trajectories. We further investigate how the initial nanodiamond morphology; cuboctahedral, octahedral, or hexagonal prism influences the resulting transformation products. Evolution of nanostructure, allotrope (via simulated x-ray diffraction), carbon hybridization, and ring statistics are tracked during a two-stage quench from 5000 K to 60 GPa. Rapid cooling combined with slow decompression optimizes cubic diamond retention, whereas slow cooling with rapid pressure release promotes surface-to-core graphitization, producing concentric sp 2 -hybridized layers and hollowed inner shells. Octahedral nanodiamonds evolve into carbon nano-onions, initially forming bucky diamonds that progressively transform into fully sp 2 -hybridized structures, while hexagonal prisms preferentially form parallel-stacked graphite layers resembling carbon dots. Transient hexagonal diamond (lonsdaleite) emerges as an interfacial phase, suggesting potential reversibility in the shock-induced graphite-to-diamond transformation pathway transformation route. To extend predictive capabilities, we trained machine learning (ML) regressors on over 10 5 node-hours of molecular dynamics (MD) trajectories. A multilayer perceptron (MLP) model reliably predicts the number of graphitized layers from temperature–pressure trajectories with a coefficient of determination (R 2 ) exceeding 0.90. This high predictive fidelity enables efficient, high-throughput mapping of the synthesis parameter space for optimized graphitization outcomes. Collectively, morphological control combined with optimized quench–decompression conditions promote the selective synthesis of nanocarbon allotropes. This work establishes a data-driven framework for the rational, a priori design of carbon nanomaterials for applications in energy storage, sensing, and biomedicine.

Detonation nanodiamond remodeling↗
DOE OSTI2024

Comparison of Machine Learning-Based Predictive Models of the Nutrient Loads Delivered from the Mississippi/Atchafalaya River Basin to the Gulf of Mexico

Predicting nutrient loads is essential to understanding and managing one of the environmental issues faced by the northern Gulf of Mexico hypoxic zone, which poses a severe threat to the Gulf’s healthy ecosystem and economy. The development of hypoxia in the Gulf of Mexico is strongly associated with the eutrophication process initiated by excessive nutrient loads. Due to the complexities in the excessive nutrient loads to the Gulf of Mexico, it is challenging to understand and predict the underlying temporal variation of nutrient loads. The study was aimed at identifying an optimal predictive machine learning model to capture and predict nonlinear behavior of the nutrient loads delivered from the Mississippi/Atchafalaya River Basin (MARB) to the Gulf of Mexico. For this purpose, monthly nutrient loads (N and P) in tons were collected from US Geological Survey (USGS) monitoring station 07373420 from 1980 to 2020. Machine learning models—including autoregressive integrated moving average (ARIMA), gaussian process regression (GPR), single-layer multilayer perceptron (MLP), and a long short-term memory (LSTM) with the single hidden layer—were developed to predict the monthly nutrient loads, and model performances were evaluated by standard assessment metrics—Root Mean Square Error (RMSE) and Correlation Coefficient (R). The residuals of predictive models were examined by the Durbin–Watson statistic. The results showed that MLP and LSTM persistently achieved better accuracy in predicting monthly TN and TP loads compared to GPR and ARIMA. In addition, GPR models achieved slightly better test RMSE score than ARIMA models while their correlation coefficients are much lower than ARIMA models. Moreover, MLP performed slightly better than LSTM in predicting monthly TP loads while LSTM slightly outperformed for TN loads. Furthermore, it was found that the optimizer and number of inputs didn’t show effects on the LSTM performance while they exhibited impacts on MLP outcomes. This study explores the capability of machine learning models to accurately predict nonlinearly fluctuating nutrient loads delivered to the Gulf of Mexico. Further efforts focus on improving the accuracy of forecasting using hybrid models which combine several machine learning models with superior predictive performance for nutrient fluxes throughout the MARB.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Decoding α-MoC 1− x Nanoparticle Formation in Continuous Flow via Machine Learning

Molybdenum carbide nanoparticles (α-MoC 1−x NPs) are promising catalysts that offer noble-metal-like performance at lower cost. We report a mild continuous-flow synthesis of α-MoC 1−x NPs from Mo(CO) 6 , coupled with in-line spectroscopic monitoring and machine learning (ML)-based analysis to quantify precursor conversion and product formation in real time. A multilayer perceptron ML model was found to accurately deconvolute complex, nonlinear spectral patterns, enabling identification of a two-step reaction pathway, involving precursor conversion to an amorphous intermediate followed by intraparticle crystallization to α-MoC 1−x NPs, with the first step being rate limiting. Ex situ small angle X-ray scattering (SAXS) and X-ray diffraction (XRD) validation confirm the predicted concentration profiles and crystallization behavior. This integrated approach showcases how ML can empower insights into NP nucleation and growth, paving the way for self-driving, flow-based platforms for NP synthesis.

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

SAXS Assistant: Automated SAXS analysis for structural discovery in biologics and polymeric nanoparticles

Small-angle x-ray scattering (SAXS) is a powerful technique for assessing macromolecular structure. High-throughput SAXS is limited by the time-consuming and, at times, subjective nature of SAXS data interpretation. Here, we present SAXS Assistant, a Python-based script that streamlines SAXS data analysis to extract features for machine learning (ML) and key structural parameters, including the Guinier radius of gyration (R g ), pair distance distribution function (PDDF)-derived R g , maximum particle dimension (D max ), and Kratky plots. The script builds upon BioXTAS RAW and validates reliability via Guinier/PDDF R g agreement, an important indicator of well-measured data sets. For assistance in D max estimation, a multilayer perceptron regressor was trained with 1940 data files from the Small Angle Scattering Biological Data Bank. The model achieved a test set performance R 2 = 0.90 and mean absolute error = 11.7 Å. Training exclusively with experimental data translates analyses from researchers, including experts in the field, to the ML model, which helps assess D max estimations from PDDF. Gaussian mixture model clustering was implemented to classify profiles into structural classes based on entries in the Small Angle Scattering Biological Data Bank. Users may therefore assess the similarity between experimental samples and known biomolecular shapes within the mapped repository entries. This probabilistic clustering aids in quantifying information from Kratky and generating shape-descriptive features. SAXS Assistant accelerates SAXS data analysis through enforced quality control, ML-ready outputs, and flags for low-confidence results. In addition to providing the ability to analyze large data sets at high throughput, this tool is versatile and may serve researchers in both biological and synthetic polymer research fields.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Model-free stabilization via Extremum Seeking using a cost neural estimator

In this paper, a fully model-free architecture for vertical stabilization of thermonuclear plasmas in tokamak experimental reactors is presented. For the first time, an Extremum Seeking control algorithm is combined with neural networks to estimate the Lyapunov function to be minimized, resulting in a fully data-driven control architecture. The performance of different neural networks are compared. Specifically, Multilayer Perceptrons and Extreme Learning Machines are considered. The proposed architecture is tested in simulation to show that it can counteract relevant plasma disturbances, resulting in a significant improvement in terms of the achievable operative space compared to the Extremum Seeking algorithm, which still relies on model-based cost estimator.

42 ENGINEERING↗
DOE OSTI2025

Physics augmented machine learning discovery of composition-dependent constitutive laws for 3D printed digital materials

Multi-material 3D printing, particularly through polymer jetting, enables the fabrication of digital materials by mixing distinct photopolymers at the micron scale within a single build to create a composite with tunable mechanical properties. Here, this work presents an integrated experimental and computational investigation into the composition-dependent mechanical behavior of 3D printed digital materials. We experimentally characterize five formulations, combining soft and rigid UV-cured polymers under uniaxial tension and torsion across three strain and twist rates. The results reveal nonlinear and rate-dependent responses that strongly depend on composition. To model this behavior, we develop a physics-augmented neural network (PANN) that combines a partially input convex neural network (pICNN) for learning the composition-dependent hyperelastic strain energy function with a quasi-linear viscoelastic (QLV) formulation for time-dependent response. The pICNN ensures convexity with respect to strain invariants while allowing non-convex dependence on composition. To enhance interpretability, we apply $L_0$ sparsification. For the time-dependent response, we introduce a multilayer perceptron (MLP) to predict viscoelastic relaxation parameters from composition. The proposed model accurately captures the nonlinear, rate-dependent behavior of 3D printed digital materials in both uniaxial tension and torsion, achieving high predictive accuracy for interpolated material compositions. This approach provides a scalable framework for automated, composition-aware constitutive model discovery for multi-material 3D printing.

Constitutive modeling↗
DOE OSTI2024

Comparison of machine learning and electrical resistivity arrays to inverse modeling for locating and characterizing subsurface targets

Here, this study evaluates the performance of multiple machine learning (ML) algorithms and electrical resistivity (ER) arrays for inversion with comparison to a conventional Gauss-Newton numerical inversion method. Four different ML models and four arrays were used for the estimation of only six variables for locating and characterizing hypothetical subsurface targets. The combination of dipole-dipole with Multilayer Perceptron Neural Network (MLP-NN) had the highest accuracy. Evaluation showed that both MLP-NN and Gauss-Newton methods performed well for estimating the matrix resistivity while target resistivity accuracy was lower, and MLP-NN produced sharper contrast at target boundaries for the field and hypothetical data. Both methods exhibited comparable target characterization performance, whereas MLP-NN had increased accuracy compared to Gauss-Newton in prediction of target width and height, which was attributed to numerical smoothing present in the Gauss-Newton approach. MLP-NN was also applied to a field dataset acquired at U.S. DOE Hanford site.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Constraining Hamiltonians from chiral effective field theory with neutron-star data

Multi-messenger observations of neutron stars (NSs) and their mergers have placed strong constraints on the dense-matter equation of state (EOS). The EOS, in turn, depends on microscopic nuclear interactions that are described by nuclear Hamiltonians. These Hamiltonians are commonly derived within chiral effective field theory (EFT). Ideally, multi-messenger observations of NSs could be used to directly inform our understanding of EFT interactions, but such a direct inference necessitates millions of model evaluations. This is computationally prohibitive because each evaluation requires us to calculate the EOS from a Hamiltonian by solving the quantum many-body problem with methods such as auxiliary-field diffusion Monte Carlo (AFDMC), which provides very accurate and precise solutions but at a significant computational cost. Additionally, we need to solve the stellar structure equations for each EOS which further slows down each model evaluation by a few seconds. In this work, we combine emulators for AFDMC calculations of neutron matter, built using parametric matrix models, and for the stellar structure equations, built using multilayer perceptron neural networks, with the PyCBC data-analysis framework to enable a direct inference of coupling constants in an EFT Hamiltonian using multi-messenger observations of NSs. We find that astrophysical data can provide informative constraints on two-nucleon couplings despite the high densities probed in NS interiors.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Narrow operator models of stellarator equilibria in Fourier Zernike basis

Numerical computation of the ideal magnetohydrodynamic (MHD) equilibrium magnetic field is at the base of stellarator optimisation and provides the starting point for solving more sophisticated partial differential equations like transport or turbulence models. Conventional approaches solve for a single stationary point of the ideal MHD equations, which is fully defined by three invariants and the numerical scheme employed by the solver. We present the first numerical approach that can solve for a continuous distribution of equilibria with fixed boundary and rotational transform, varying only the pressure invariant. This approach minimises the force residual by optimising parameters of multilayer perceptrons that map from a scalar pressure multiplier to the Fourier Zernike basis as implemented in the modern stellarator equilibrium solver DESC.

fusion plasma↗
DOE OSTI2024

Machine Learning‐Assisted Microearthquake Location Workflow for Monitoring the Newberry Enhanced Geothermal System

Abstract Enhanced geothermal systems (EGS) offer a sustainable energy source but face challenges in accurately locating microearthquakes induced during reservoir stimulation. Locating these microearthquakes provides reliable feedback on the stimulation progress. Current deep learning methods for locating earthquakes require extensive data sets for training, which is problematic as detected microearthquakes are often limited. To address the scarcity of training data, we propose a practical workflow using probabilistic multilayer perceptron (PMLP) which predicts microearthquake locations from cross‐correlation time lags in waveforms. Utilizing a 3D velocity model of Newberry site derived from ambient noise interferometry, we generate numerous synthetic microearthquakes and 3D acoustic waveforms for PMLP training. Accurate synthetic tests prompt us to apply the trained network to the 2012 and 2014 stimulation field waveforms. To enhance the accuracy of source localization, we carefully handpick the P‐arrival times. Predictions on the 2012 stimulation data set show major microseismic activity at depths of 0.5–1.2 km, correlating with a known casing leakage scenario. In the 2014 data set, the majority of predictions concentrate at 2.0–2.9 km depths, consistent with results obtained from conventional physics‐based inversion, and align with the presence of natural fractures from 2.0 to 2.7 km. We validate our findings by comparing the synthetic and field picks, demonstrating a satisfactory match for the first arrivals. By combining the benefits of quick inference speeds and accurate location predictions, we demonstrate the feasibility of using realistic synthetic data set to locate microseismicity for EGS monitoring.

15 GEOTHERMAL ENERGY↗