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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
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 OSTI2021

Predicting concrete compressive strength using hybrid ensembling of surrogate machine learning models

This study aims to implement a hybrid ensemble surrogate machine learning technique in predicting the compressive strength (CS) of concrete, an important parameter used for durability design and service life prediction of concrete structures in civil engineering projects. For this purpose, an experimental database consisting of 1030 records has been compiled from the machine learning repository of the University of California, Irvine. The database was used to train and validate four conventional machine learning (CML) models, namely Artificial Neural Network (ANN), Linear and Non-Linear Multivariate Adaptive Regression Splines (MARS-L and MARS-C), Gaussian Process Regression (GPR), and Minimax Probability Machine Regression (MPMR). Subsequently, the predicted outputs of CML models were combined and trained using ANN to construct the Hybrid Ensemble Model (HENSM). It is observed that the proposed HENSM produces higher predictive accuracy compared to the CML models used in the present study. The predictive performance of all models for CS prediction was compared using the testing dataset and it is found that the HENSM model attained the highest predictive accuracy in both phases. Based on the experimental results, the newly constructed HENSM model is very potential to be a new alternative in handling the overfitting issues of CML models and hence, can be used to predict the concrete CS, including the design of less polluting and more sustainable concrete constructions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Distributed fiber sensor and machine learning data analytics for pipeline protection against extrinsic intrusions and intrinsic corrosions

This paper presents an integrated technical framework to protect pipelines against both malicious intrusions and piping degradation using a distributed fiber sensing technology and artificial intelligence. A distributed acoustic sensing (DAS) system based on phase-sensitive optical time-domain reflectometry (φ-OTDR) was used to detect acoustic wave propagation and scattering along pipeline structures consisting of straight piping and sharp bend elbow. Signal to noise ratio of the DAS system was enhanced by femtosecond induced artificial Rayleigh scattering centers. Data harnessed by the DAS system were analyzed by neural network-based machine learning algorithms. The system identified with over 85% accuracy in various external impact events, and over 94% accuracy for defect identification through supervised learning and 71% accuracy through unsupervised learning.

Peng, Zhaoqiang↗
DOE OSTI2025

Accelerating phase field simulations through a hybrid adaptive Fourier neural operator with U-net backbone

Prolonged contact between a corrosive liquid and metal alloys can cause progressive dealloying. For one such process as liquid-metal dealloying (LMD), phase field models have been developed to understand the mechanisms leading to complex morphologies. However, the LMD governing equations in these models often involve coupled non-linear partial differential equations (PDE), which are challenging to solve numerically. In particular, numerical stiffness in the PDEs requires an extremely refined time step size (on the order of 10 -12 s or smaller). This computational bottleneck is especially problematic when running LMD simulation until a late time horizon is required. This motivates the development of surrogate models capable of leaping forward in time, by skipping several consecutive time steps at-once. In this paper, we propose a U-shaped adaptive Fourier neural operator (U-AFNO), a machine learning (ML) based model inspired by recent advances in neural operator learning. U-AFNO employs U-Nets for extracting and reconstructing local features within the physical fields, and passes the latent space through a vision transformer (ViT) implemented in the Fourier space (AFNO). We use U-AFNOs to learn the dynamics of mapping the field at a current time step into a later time step. We also identify global quantities of interest (QoI) describing the corrosion process (e.g., the deformation of the liquid-metal interface, lost metal, etc.) and show that our proposed U-AFNO model is able to accurately predict the field dynamics, in spite of the chaotic nature of LMD. Most notably, our model reproduces the key microstructure statistics and QoIs with a level of accuracy on par with the high-fidelity numerical solver, while achieving a significant 11, 200 × speed-up on a high-resolution grid when comparing the computational expense per time step. Finally, we also investigate the opportunity of using hybrid simulations, in which we alternate forward leaps in time using the U-AFNO with high-fidelity time stepping. We demonstrate that while advantageous for some surrogate model design choices, our proposed U-AFNO model in fully auto-regressive settings consistently outperforms hybrid schemes.

36 MATERIALS SCIENCE↗
NASA NTRS1995

Locomotion training of legged robots using hybrid machine learning techniques

In this study artificial neural networks and fuzzy logic are used to control the jumping behavior of a three-link uniped robot. The biped locomotion control problem is an increment of the uniped locomotion control. Study of legged locomotion dynamics indicates that a hierarchical controller is required to control the behavior of a legged robot. A structured control strategy is suggested which includes navigator, motion planner, biped coordinator and uniped controllers. A three-link uniped robot simulation is developed to be used as the plant. Neurocontrollers were trained both online and offline. In the case of on-line training, a reinforcement learning technique was used to train the neurocontroller to make the robot jump to a specified height. After several hundred iterations of training, the plant output achieved an accuracy of 7.4%. However, when jump distance and body angular momentum were also included in the control objectives, training time became impractically long. In the case of off-line training, a three-layered backpropagation (BP) network was first used with three inputs, three outputs and 15 to 40 hidden nodes. Pre-generated data were presented to the network with a learning rate as low as 0.003 in order to reach convergence. The low learning rate required for convergence resulted in a very slow training process which took weeks to learn 460 examples. After training, performance of the neurocontroller was rather poor. Consequently, the BP network was replaced by a Cerebeller Model Articulation Controller (CMAC) network. Subsequent experiments described in this document show that the CMAC network is more suitable to the solution of uniped locomotion control problems in terms of both learning efficiency and performance. A new approach is introduced in this report, viz., a self-organizing multiagent cerebeller model for fuzzy-neural control of uniped locomotion is suggested to improve training efficiency. This is currently being evaluated for a possible patent by NASA, Johnson Space Center. An alternative modular approach is also developed which uses separate controllers for each stage of the running stride. A self-organizing fuzzy-neural controller controls the height, distance and angular momentum of the stride. A CMAC-based controller controls the movement of the leg from the time the foot leaves the ground to the time of landing. Because the leg joints are controlled at each time step during flight, movement is smooth and obstacles can be avoided. Initial results indicate that this approach can yield fast, accurate results.

Simon, William E.↗
DOE OSTI2022

Vertex finding in neutrino-nucleus interaction: a model architecture comparison

We compare different neural network architectures for machine learning algorithms designed to identify the neutrino interaction vertex position in the MINERvA detector. The architectures developed and optimized by hand are compared with the architectures developed in an automated way using the package “Multi-node Evolutionary Neural Networks for Deep Learning” (MENNDL), developed at Oak Ridge National Laboratory. While the domain-expert hand-tuned network was the best performer, the differences were negligible and the auto-generated networks performed as well. There is always a trade-off between human, and computer resources for network optimization and this work suggests that automated optimization, assuming resources are available, provides a compelling way to save significant expert time.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Development of a Convolutional Neural Network Classifier for Data Starved Spectra - 20199

The Institute for Clean Energy Technology (ICET) at Mississippi State University is exploring the utility of machine learning in augmenting its mobile radiation surveying platforms, which are currently being developed as means to survey depleted uranium contaminated areas in support of remediation and decommissioning efforts. Mobile survey platforms provide a means to efficiently scan large areas of interest while reducing human exposure to radiation and other hazards. The survey platforms can also be used for scanning for any gamma emitting isotope in addition to depleted uranium. The spectral data that the platforms collect may be data starved with relatively low counts and poorly defined spectral features depending on the speed of the platforms and scintillation detector selection. Such data-starved spectra are difficult to use for isotope identification, requiring advanced knowledge of the possible radionuclides that could be present and environmental factors that could attenuate signals or introduce background noise. These factors in combination with the volume of survey data increases the time it takes to perform analysis of survey data when the source type is unknown. There are a number of algorithms in the field of machine learning that can be used to classify data that would be challenging and time-consuming for a human to identify. Supervised machine learning algorithms train models based on extensive amounts of human-labeled training data. Once sufficiently trained, these models can be used to quickly make high-fidelity predictions on new data. Convolutional neural networks are machine learning algorithms that excel in learning representations of 'shapes'. They do this by taking numerical input data and convolving them with spatial feature detectors referred to as filters. These filters are incrementally adjusted to reduce the prediction error on the data during the backpropagation step of training. Discussed in this paper is the development of a convolutional neural network classifier (CNNC) that can utilize spectral survey data for source discrimination and isotope identification. Bench-top laboratory experiments data using LaBr{sub 3}(Ce) scintillation detectors were used to train and evaluate the performance of the developed CNNC. The CNNC is capable of discriminating a variety of gamma emitting source types, differentiating different forms of uranium (depleted vs. natural), and estimating the amount of uranium for a known geometry. The discussed CNNC may be useful in scenarios where survey systems are deployed in situations where hazardous radioactive material maybe present, but the type is unknown. When used in remediation applications the CNNC can be used to screen-out false positives, helping reduce remediation costs. (authors)

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2022

Physics-informed machine learning with differentiable programming for heterogeneous underground reservoir pressure management

Abstract Avoiding over-pressurization in subsurface reservoirs is critical for applications like CO $$_2$$ 2 sequestration and wastewater injection. Managing the pressures by controlling injection/extraction are challenging because of complex heterogeneity in the subsurface. The heterogeneity typically requires high-fidelity physics-based models to make predictions on CO $$_2$$ 2 fate. Furthermore, characterizing the heterogeneity accurately is fraught with parametric uncertainty. Accounting for both, heterogeneity and uncertainty, makes this a computationally-intensive problem challenging for current reservoir simulators. To tackle this, we use differentiable programming with a full-physics model and machine learning to determine the fluid extraction rates that prevent over-pressurization at critical reservoir locations. We use DPFEHM framework, which has trustworthy physics based on the standard two-point flux finite volume discretization and is also automatically differentiable like machine learning models. Our physics-informed machine learning framework uses convolutional neural networks to learn an appropriate extraction rate based on the permeability field. We also perform a hyperparameter search to improve the model’s accuracy. Training and testing scenarios are executed to evaluate the feasibility of using physics-informed machine learning to manage reservoir pressures. We constructed and tested a sufficiently accurate simulator that is 400 000 times faster than the underlying physics-based simulator, allowing for near real-time analysis and robust uncertainty quantification.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Using limited neural networks to assess relative mechanistic influence on shock heating in granular solids

The rapid compaction of granular media results in localized heating that can induce chemical reactions, phase transformations, and melting. However, there are numerous mechanisms in play that can be dependent on a variety of microstructural features. Machine learning techniques such as neural networks offer a ubiquitous method to develop models for physical processes. Limiting what kind of microstructural information is used as an input and assessing normalized changes in network error, the relative importance of different mechanisms can be inferred. Here we utilize binned, initial density information as network inputs to predict local shock heating in a granular high explosive trained from large-scale molecular dynamics simulations. In this study, the spatial extent of the density field used in the network is altered to assess the importance and relevant length scales of the physical mechanisms in play, where different microstructural features result in different predictive capabilities.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Stacked networks improve physics-informed training: Applications to neural networks and deep operator networks

Physics-informed neural networks and operator networks have shown promise for effectively solving equations modeling physical systems. However, these networks can happen to be difficult or impossible to train accurately. Here, we present a novel multifidelity framework for stacking physics-informed neural networks and operator networks that facilitates training. We successively build a chain of networks, where the output at one step can act as a low-fidelity input for training a longer chain, gradually increasing the expressivity of the learnt model. The equations imposed at each step of the iterative process can be the same or different (akin to simulated annealing). The iterative (stacking) nature of the proposed method allows us to learn progressively features of a solution which could have been hard to learn directly. Through benchmark problems including a nonlinear pendulum, the wave equation, and the viscous Burgers equation, we show how stacking can be used to improve the accuracy and reduce the required size of physics-informed neural networks and operator networks.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

A robust synthetic data generation framework for machine learning in high-resolution transmission electron microscopy (HRTEM)

Machine learning techniques are attractive options for developing highly-accurate analysis tools for nanomaterials characterization, including high-resolution transmission electron microscopy (HRTEM). However, successfully implementing such machine learning tools can be difficult due to the challenges in procuring sufficiently large, high-quality training datasets from experiments. In this work, we introduce Construction Zone, a Python package for rapid generation of complex nanoscale atomic structures which enables fast, systematic sampling of realistic nanomaterial structures and can be used as a random structure generator for large, diverse synthetic datasets. Using Construction Zone, we develop an end-to-end machine learning workflow for training neural network models to analyze experimental atomic resolution HRTEM images on the task of nanoparticle image segmentation purely with simulated databases. Further, we study the data curation process to understand how various aspects of the curated simulated data—including simulation fidelity, the distribution of atomic structures, and the distribution of imaging conditions—affect model performance across three benchmark experimental HRTEM image datasets. Using our workflow, we are able to achieve state-of-the-art segmentation performance on these experimental benchmarks and, further, we discuss robust strategies for consistently achieving high performance with machine learning in experimental settings using purely synthetic data. Construction Zone and its documentation are available at https://github.com/lerandc/construction_zone.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Event Cause Analysis in Distribution Networks using Synchro Waveform Measurements

This paper presents a machine learning method for event cause analysis to enhance situational awareness in distribution networks. The data streams are captured using time-synchronized high sampling rates synchro waveform measurement units (SWMU). The proposed method is formulated based on a machine learning method, the convolutional neural network (CNN). This method is capable of capturing the spatiotemporal feature of the measurements effectively and perform the event cause analysis. Several events are considered in this paper to encompass a range of possible events in real distribution networks, including capacitor bank switching, transformer energization, fault, and high impedance fault (HIF). The dataset for our study is generated using the real time digital simulator (RTDS) to simulate real-world events. The event cause analysis is performed using only one cycle of the voltage waveforms after the event is detected. The simulation results show the effectiveness of the proposed machine learning-based method compared to the state-of-the-art classifiers.

Niazazari, Iman↗
DOE OSTI2025

Design Choices in Anomaly Detection for Industrial Control Systems: Insights from Gas Pipeline Data

Industrial control systems (ICS) remain vulnerable to increasingly sophisticated cyberattacks, yet evaluating anomaly detection models in these environments is challenging due to temporal dependencies, missing-not-at-random patterns, and extremely imbalanced datasets. These factors make common practices—especially random data splits and naïve imputation—prone to severe temporal leakage, which can inflate reported performance and obscure real-world limitations. In this work, we systematically examine classical machine learning models, temporal deep learning architecture, and tensor-decomposition–based methods on a gas-pipeline dataset using a fully temporally separated evaluation pipeline designed to mimic realistic deployment conditions. Our findings show that proper temporal handling and MNAR-aware preprocessing significantly alter the relative performance of popular anomaly-detection methods, providing practical guidance for designing reliable, leakage-resistant ICS intrusion-detection systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Uncertainty quantification of the convolutional neural networks on permeability estimation from micro-CT scanned sandstone and carbonate rock images

Rock permeability is one of the most crucial properties affecting subsurface fluid flow behaviors. To accurately and robustly estimate the permeability, Digital Rock Physics, including micro-CT scanning technology and direct flow simulations on scanned images, has prevailed in recent years. Besides, machine learning techniques such as convolutional neural networks (CNNs) have been widely adopted and achieved success in permeability estimations directly from rock images. However, existing ML methods used for permeability estimation from rock images lack uncertainty quantification that causes unreliable predictions and overconfident estimations on out-of-distribution (OOD) samples. Here, in this work, we propose a PI3NN-CNN framework to address this problem. PI3NN-CNN consists of a CNN model for absolute permeability estimation and a PI3NN method to quantify the estimation uncertainty. It is able to quantify the uncertainty for in-distribution (InD) data with a desired confidence level, and identify OOD samples to avoid overconfident predictions. We demonstrate the method using micro-CT scanned images from two sandstone and two carbonate rocks. We found that PI3NN-CNN generates accurate predictions for InD samples, while producing high-quality prediction uncertainties regardless of the prediction accuracy. Meanwhile, PI3NN-CNN identifies OOD samples using its special network initialization scheme. The unique feature of PI3NN-CNN makes it applicable to more complex real-world image-based data for robust learning and predictions without overconfident estimations when the ground-truth information is unavailable.

58 GEOSCIENCES↗
DOE OSTI2024

Efficient Anomaly Detection Driven By Different Machine Learning Architectures And Models

The rapid growth and ubiquitous adoption of the internet and cyber-physical systems (CPS) have fundamentally transformed modern communication, work, and human-system interactions. While networks now form the backbone of critical digital ecosystems, enabling seamless data transmission across diverse, interconnected systems, this increased connectivity also expands the attack surface, making real-time detection of network intrusions and anomalies a pressing challenge. Detecting unusual activities within network infrastructure requires advanced data traffic analysis to differentiate between legitimate and malicious interactions. Traditional approaches to network anomaly detectionâ??such as rule-based and signature-based systemsâ??often depend on predefined patterns to identify known anomalies, limiting their effectiveness against emerging, stealthy, or previously unseen threats. These conventional methods suffer from high false alarm rates and fail to adapt to the ever-evolving nature of network traffic, particularly in large-scale, decentralized environments where data volume, velocity, and variety are constantly increasing. This dissertation presents artificial intelligence (AI)-driven approaches to anomaly detection that leverage graphics processing unit (GPU)-enabled high-performance computing (HPC) platforms for processing massive network traffic data and monitoring the components of cyber-physical systems (CPS) for potentially hazardous conditions. The research advances several key contributions: (1) Designing efficient machine learning techniques for CPS condition monitoring and anomaly detection; (2) enabling federated learning (FL) frameworks that enable distributed detection while preserving data privacy and system resilience; (3) exploring graph-based methodologies combining graph neural networks (GNN) and graph machine learning (ML) approaches for the Internet of Things (IoT) and automotive network security, and (4) performing distributed edge computing optimizations that integrate FL with scalable technologies for reduced communication overhead. Through extensive experiments, these methodologies demonstrate that complex anomaly detection and condition monitoring tasks can be achieved while balancing computational efficiency and detection accuracy through fine-grained network information processing. The frameworks developed in this research establish a robust foundation for network anomaly detection, providing scalable, adaptive, and privacy-preserving solutions for safeguarding CPS and IoT networks in an increasingly interconnected digital landscape. The practical implications of these research findings are significant, as they can inform the development of next-generation network security systems and contribute to the protection of critical infrastructure against sophisticated cyber attacks.

Marfo, William↗
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 OSTI2022

Co-optimized machine-learned manifold models for large eddy simulation of turbulent combustion

Many modeling approaches in large eddy simulation (LES) of turbulent combustion employ a projection of the thermochemical state onto a low-dimensional manifold within state space to reduce the number of transported variables and hence computational cost. Flamelet-generated manifolds (FGM) is an example of a well-established, physics-based approach, but increasingly, principal component analysis (PCA) is being used as a data-driven method for generating manifold models. For both approaches, the nonlinear relationship between the location on the predefined manifold and the outputs of interest, such as reaction rates, can be tabulated or encoded in a neural network. This work proposes a new approach for manifold modeling that extends these existing approaches. A modified neural network structure simultaneously encodes the definition of the manifold variables, the nonlinear mapping, and the subfilter closure for LES. This allows all three of these aspects of the model to be co-optimized, generating a model from any source of combustion thermochemical state data. The manifold parameterizing variables are constrained to be linear combinations of species, as in FGM and PCA-based models, to aid in interpretability and implementation. For LES, subfilter variances of the manifold variables are also included as inputs. Two types of a priori analysis are performed to evaluate the new approach. In the first, the model is trained on data from one-dimensional premixed flames. In this case, the approach recovers the behavior of flamelet-based manifold approaches, and in fact slightly improves performance by identifying an optimized progress variable. The approach is also applied to data from direct numerical simulations of spherical ignition kernels in isotropic turbulence. For any specified manifold dimensionality, the new approach provides substantially lower prediction errors than a PCA-based model developed from the same data set. Additionally, the LES formulation of the new approach can provide accurate predictions for filtered reaction rates across a variety of filter widths.

97 MATHEMATICS AND COMPUTING↗