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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Emerging applications: Neuromorphic computing and reservoir computing

The emergence of doped hafnium oxide (HfO 2 )-based ferroelectric films has enabled highly scalable and silicon-compatible ferroelectric devices, opening new frontiers in neuromorphic and reservoir computing. Among these, ferroelectric field-effect transistors (FeFETs) are particularly promising due to their analog memory characteristics and unique polarization dynamics. These properties make FeFETs ideal candidates for artificial synapses in neuromorphic architectures, supporting deep neural networks and spiking neural networks based on leaky-integrate-and-fire (LIF) mechanisms. Beyond neuromorphic computing, FeFETs also play a crucial role in physical reservoir computing, leveraging their intrinsic nonlinear and history-dependent behavior for efficient real-time learning. This approach offers significant advantages for time-series processing and edge artificial intelligence (AI) applications, addressing the growing need for energy-efficient computing. As a result, this article explores the principles, key demonstrations, and future potential of FeFET-based neuromorphic and reservoir computing, highlighting their impact on next-generation AI hardware.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Collective neural network behavior in a dynamically driven disordered system of superconducting loops

Collective properties of complex systems composed of many interacting components such as neurons in our brain can be modeled by artificial networks based on disordered systems. We show that a disordered neural network of superconducting loops with Josephson junctions can exhibit computational properties like categorization and associative memory in the time evolution of its state in response to information from external excitations. Superconducting loops can trap multiples of fluxons in many discrete memory configurations defined by the local free energy minima in the configuration space of all possible states. A memory state can be updated by exciting the Josephson junctions to fire or allow the movement of fluxons through the network as the current through them surpasses their critical current thresholds. Simulations performed with a lumped element circuit model of a 4-loop network show that information written through excitations is translated into stable states of trapped flux and their time evolution. Experimental implementation on a high-Tc superconductor YBCO-based 4-loop network shows dynamically stable flux flow in each pathway characterized by the correlations between junction firing statistics. Neural network behavior is observed as energy barriers separating state categories in simulations in response to multiple excitations, and experimentally as junction responses characterizing different flux flow patterns in the network. The state categories that produce these patterns have different temporal stabilities relative to each other and the excitations. This provides strong evidence for time-dependent (short-to-long-term) memories, that are dependent on the geometrical and junction parameters of the loops, as described with a network model.

Josephson junctions↗
DOE OSTI2022

Switching Dynamics in Vanadium Dioxide-Based Stochastic Thermal Neurons

We report on switching dynamics of individual and coupled vanadium dioxide (VO 2 ) devices subject to voltage pulses as the temperature is systematically varied from room temperature spanning the insulator–metal transition (IMT) temperature. The switching voltage of single devices has a strong relationship with both temperature and voltage pulsewidth. Two-step switching in connected VO 2 devices has been noted in current transient plots and was found to depend on temperature, pulsewidth, and pulse amplitude. Experimental switching behavior measured from VO 2 artificial neurons was implemented into a spiking neural network (SNN). During training, modulating the switching voltage via temperature affords a novel method to implement homeostasis with the coupled devices. Simulation results show the efficacy of the stochastic neuronal characteristics and the proposed homeostasis mechanism on a standard digit recognition task. As a result, these studies contribute to ongoing efforts in neuromorphic computing exploiting collective phase transitions.

42 ENGINEERING↗
DOE OSTI2023

Explaining machine-learning models for gamma-ray detection and identification

As more complex predictive models are used for gamma-ray spectral analysis, methods are needed to probe and understand their predictions and behavior. Recent work has begun to bring the latest techniques from the field of Explainable Artificial Intelligence (XAI) into the applications of gamma-ray spectroscopy, including the introduction of gradient-based methods like saliency mapping and Gradient-weighted Class Activation Mapping (Grad-CAM), and black box methods like Local Interpretable Model-agnostic Explanations (LIME) and SHapley Additive exPlanations (SHAP). In addition, new sources of synthetic radiological data are becoming available, and these new data sets present opportunities to train models using more data than ever before. In this work, we use a neural network model trained on synthetic NaI(Tl) urban search data to compare some of these explanation methods and identify modifications that need to be applied to adapt the methods to gamma-ray spectral data. We find that the black box methods LIME and SHAP are especially accurate in their results, and recommend SHAP since it requires little hyperparameter tuning. We also propose and demonstrate a technique for generating counterfactual explanations using orthogonal projections of LIME and SHAP explanations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Throughput-Oriented and Accuracy-Aware DNN Training with BFloat16 on GPU

Deep Neural Networks (DNNs) have transformed the field of artificial intelligence and achieved extraordinary success in many areas. The training of DNNs is commonly compute and memory-intensive, which has resulted in several optimizations in the training phase. Among them, reduced precision is a typical and widely used technique to accelerate DNN training and reduce memory requirements. However, applying a widely adopted reduced precision format such as Float16 to all involved operations in DNN training is not optimal as the use of Float16 in some operations can hurt model accuracy. Meanwhile, additional optimizations including loss scaling and autocast techniques can mitigate the accuracy loss but lead to inherent overhead and inadequate use of reduced precision. In this work, we leverage another reduced precision format, BFloat16, and introduce a throughput-oriented and accuracy-aware approach to maximize the performance potential of DNN training. Since the high throughput provided by BFloat16 format is accompanied by low precision of the floating-point representation, this approach achieves high throughput by using BFloat16 on all DNN operations and avoids the accuracy loss through a customized accuracy-aware normalization. Results show that our approach outperforms the state-of-the-art mixed-precision training by 1.21x on an NVIDIA A100 GPU.

Xie, Zhen↗
DOE OSTI2021

Development of a Deep Learning Model for Predicting the Drag Coefficients of Spherical and Non-Spherical Particles,

There is yet to be a well-established drag model for non-spherical particles required in a particle-laden flow that could cover a wide range of sphericities. This talk will explore the development of a general drag model for non-spherical particles by applying deep learning using available experimental data available in the literature. The integration of several raw experimental measurements from different sources and research directions allows the training of robust Artificial Intelligence and Machine Learning (ML) models. Neural networks are an ML approach inspired by the inner biological workings of the brain. This work aims to develop a Deep Neural Network (DNN) that predicts drag coefficient values with the ability to adapt appropriately to unseen data. Given the limited number of data points available and the variance found within the data collected from various sources, challenges may arise when looking to train the model. Our study tests and implements various model regularization techniques and assesses different loss and activation functions for the proposed DNN. The proposed model considers a broader range of features other than sphericity and Reynold number. These features include density ratio, solid volume fraction, lengthwise and crosswise sphericity, and more. Furthermore, we present the features that play a significant role in predicting different drag coefficients through feature importance. Within the investigated parameter ranges in this study, the following conclusions can be achieved and summarized below: • An improved drag coefficient model can be developed by considering more features such as, aspect ratio, lengthwise sphericity, crosswise sphericity, and density ratio. • DNN model can predict better results compared to traditional methods using MAE metric. • The proposed model addresses data challenges such as limited data and extreme data points through expanded feature-set and regularization. • Three major features that mostly affect the drag coefficient were identified from a feature importance analysis.

Presa-Reyes, Maria↗
DOE OSTI2025

Shape Anisotropy-Dependent Leaking in Magnetic Neurons for Bio-Mimetic Neuromorphic Computing

Spiking neural networks seek to emulate biological computation through interconnected artificial neuron and synapse devices. Spintronic neurons can leverage magnetization physics to mimic biological neuron functions, such as integration tied to magnetic domain wall (DW) propagation in a patterned nanotrack and firing tied to the resistance change of a magnetic tunnel junction (MTJ), captured in the domain wall-magnetic tunnel junction (DW-MTJ) device. Leaking, relaxation of a neuron when it is not under stimulation, is also predicted to be implemented based on DW drift as a DW relaxes to a low energy position, but it has not been well explored or demonstrated in device prototypes. Here, in this work, we study DW-MTJ artificial neurons capable of leaky integrate-and-fire (LIF) behavior and demonstrate geometry-dependent leaking dynamics that results in repeatable, tunable LIF operation. Studying the behavior of five different device designs, we show tuning the geometry, stimulating fields and currents, and location of electrical contacts results in a wide range of neuron behavior. Additionally, implementation of an asymmetric notch allows for nonlinear pinning which increased expressivity without sacrificing leaking. The measured behavior is implemented in a simulated spiking neural network that outperforms a 1D model of continuous DW motion and approaches the performance of an ideal LIF activation function. The results show that the analog LIF capability of DW-MTJ neurons combines many desirable neuron functions into a single device, which can result in varied forms of multifunctional neuromorphic computing.

42 ENGINEERING↗
DOE OSTI2020

Methods for Explainable Artificial Intelligence

We explored ways of quantifying information in a neural network. This can be used to determine the right size of a network or to infer the way in which a network is processing information. The first year and a half was somewhat exploratory while the last half of the project focused on approaches that seemed to show the most promise. The introduce a new way of computing explainable artificial intelligence (XAI) saliency maps that is several orders of magnitude faster than methods with similar fidelity We call it FastCAM. The method works be combining a Class Activation Map (CAM) method such as GradCAM with a forward activation map computed with a statistic we call SMOE Scale. The addition of the forward activation maps to CAM methods seems to always improve their fidelity. At the same time, computational overhead is not increased by very much. While Gradients with SmoothGrad scores better on some fidelity measures, it is overall not as good and requires more than 1500 times to compute. We demonstrate two completed applications of FastCAM on tasks outside of the LDRD at LLNL. The source code for FastCAM is currently being implanted into Captum, the official XAI toolkit for the popular deep learning toolkit PyTorch. The LDRD currently has 13 publications released to the public. 10 of them are journal length.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Autonomous nondestructive evaluation of resistance spot welded joints

The application of non-destructive evaluation approaches has attracted strong interests in modern automotive industries. Here, we present an autonomous deep-computing framework to analyze raw videos from infrared systems and to predict weld nugget shape and size with unprecedented accuracy and speed. In a comprehensive training and testing experiment with 90 videos (seven sets of welding material stack-ups), a new method was developed to assemble sufficient datasets for neural network training. Our framework successfully predicts all the nugget shapes with F1 scores that range from 0.84 to 0.92. The total training time on Nvidia DGX station takes less than 10 min for each set of welding material stack-up. The real inference time of an individual dataset (with 30 video frames) takes about 0.005 s. The procedure and methods developed in the study can be applied to other image-based weld property prediction, as well as other manufacturing processes. Furthermore, our well-trained neural networks take limited memory resources (2.3 MB) and are suitable for embedded microprocessors for in-situ welding quality control as edge computing within an intelligent welding framework.

42 ENGINEERING↗
DOE OSTI2025

Automated Fire Detection for Industrial Settings with Pretrained Convolutional Networks

Early fire detection in industrial environments is critical to preventing equipment damage, personal injury, and operational disruptions. Traditional smoke detectors, while effective, often experience delays due to the time required for smoke to reach sensors, allowing fires to spread. Manual fire watch operations and human surveillance of camera feeds are resource-intensive and prone to human error. To address these challenges, this paper explores the application of convolutional neural networks for automated fire detection, specifically in industrial settings. By leveraging 11 different pre-trained machine vision models from TensorFlow and enhancing them with transfer learning on a custom-built industrial fire dataset, we optimized fire detection performance. Here, we analyzed each machine vision model architecture in terms of its depth, width, and input image resolution, considering both resource requirements and detection accuracy. We further explored the option of combining multiple models into an ensemble classifier to evaluate whether the performance improvements could justify the much greater computational complexity and other practical impacts. A cost-benefit analysis is presented to evaluate the trade-offs between performance and computational expense. Our findings identify that EfficientNetV2L, specifically tailored for industrial applications, provides the optimal balance between costs involved in training and using the model versus the overall fire detection performance. Additionally, we present a qualitative analysis of model performance using the technique of gradient-based class activation mapping to provide explainability by visualizing model decisions.

artificial intelligence↗
DOE OSTI2020

ASCENDS: Advanced data SCiENce toolkit for Non-Data Scientists

Recently, advances in machine learning and artificial intelligence have been playing more and more critical roles in a wide range of areas. For the last several years, industries have shown that how learning from data, identifying patterns and making decisions with minimal human intervention can be extremely useful to their business (e.g., image classification, recommending a product to a customer, finding friends in a social network, predicting customers actions, etc.). These success stories have been motivating scientists who study physics, chemistry, materials, medicine, and many other subjects, to explore a new pathway of utilizing machine learning techniques like regression and classification for their scientific activities. However, most existing machine learning tools, systems, and methodologies have been developed for programming experts but not for scientists (or any users) who have no or little knowledge of programming. ASCENDS is a toolkit that is developed to assist scientists (or any persons) who want to use their data for machine learning tasks, more specifically, correlation analysis, regression, and classification. ASCENDS does not require programming skills. Instead, it provides a set of simple but powerful CLI (Command Line Interface) and GUI (Graphic User Interface) tools for non-data scientists to be able to intuitively perform advanced data analysis and machine learning techniques. ASCENDS has been implemented by wrapping around opensource software including Keras, TensorFlow, and scikit-learn.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

The use of digital thread for reconstruction of local fiber orientation in a compression molded pin bracket via deep learning

A deep convolutional neural network (DCNN) was used for microstructure reconstruction using artificial intelligence (MR-AI) by predicting local average fiber orientation distributions (FOD) in a 3D prepreg platelet molded composite (PPMC) pin bracket. To train the MR-AI model, surface strain fields from residual stresses simulated in PPMC plates were used as the input to the DCNN. A training dataset included PPMC plates with various degrees of global fiber alignment, based on the information obtained from high-fidelity flow simulation of a pin bracket. Further, the MR-AI model was then deployed to analyze FOD in the 3D pin bracket by conducting thermo-elastic residual stress analysis. Initially, the MR-AI model was established entirely on the synthetic simulation data. Then, a μCT scan of a physically molded pin bracket was used to create a finite element model that provided data for additional validation of the DCNN model. For the μCT scan finite element pin bracket the MR-AI model predicted the distribution of fiber orientation tensor components with MAE of 0.10 indicating a global prediction error of 10%. For the flow simulated pin bracket, the MR-AI model predicted the distribution of fiber orientation tensor components with a global prediction error of 11%. The MR-AI model showed the ability to predict regions of varying alignment in the base and flange of the pin bracket. The proposed MR-AI methodology allows for rapid prediction of FOD in geometrically complex parts and offers a promising path to detecting unique fiber orientation states in molded components.

42 ENGINEERING↗
DOE OSTI2021

Co-Design of Free-Space Metasurface Optical Neuromorphic Classifiers for High Performance

Classification of features in a scene typically requires conversion of the incoming photonic field into the electronic domain. Recently, an alternative approach has emerged whereby passive structured materials can perform classification tasks by directly using free-space propagation and diffraction of light. In this manuscript, we present a theoretical and computational study of such systems and establish the basic features that govern their performance. We show that system architecture, material structure, and input light field are intertwined and need to be co-designed to maximize classification accuracy. Our simulations show that a single layer metasurface can achieve classification accuracy better than conventional linear classifiers, with an order of magnitude fewer diffractive features than previously reported. For a wavelength λ, single layer metasurfaces of size 100λ × 100λ with an aperture density λ –2 achieve ~96% testing accuracy on the MNIST data set, for an optimized distance ~100λ to the output plane. This is enabled by an intrinsic nonlinearity in photodetection, despite the use of linear optical metamaterials. Furthermore, we find that once the system is optimized, the number of diffractive features is the main determinant of classification performance. The slow asymptotic scaling with the number of apertures suggests a reason why such systems may benefit from multiple layer designs. Finally, we show a trade-off between the number of apertures and fabrication noise.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Missing data in multi-omics integration: Recent advances through artificial intelligence

Biological systems function through complex interactions between various ‘omics (biomolecules), and a more complete understanding of these systems is only possible through an integrated, multi-omic perspective. This has presented the need for the development of integration approaches that are able to capture the complex, often non-linear, interactions that define these biological systems and are adapted to the challenges of combining the heterogenous data across ‘omic views. A principal challenge to multi-omic integration is missing data because all biomolecules are not measured in all samples. Due to either cost, instrument sensitivity, or other experimental factors, data for a biological sample may be missing for one or more ‘omic techologies. Recent methodological developments in artificial intelligence and statistical learning have greatly facilitated the analyses of multi-omics data, however many of these techniques assume access to completely observed data. A subset of these methods incorporate mechanisms for handling partially observed samples, and these methods are the focus of this review. We describe recently developed approaches, noting their primary use cases and highlighting each method's approach to handling missing data. We additionally provide an overview of the more traditional missing data workflows and their limitations; and we discuss potential avenues for further developments as well as how the missing data issue and its current solutions may generalize beyond the multi-omics context.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

ELECTRIFICATION OF A HEAVY-DUTY OFF-ROAD MATERIAL HANDLER: ENERGY SAVINGS AND EMISSION REDUCTIONS

Federal regulations are driving the adoption of electrification technologies to reduce carbon dioxide equivalent (CO2e) emissions, a metric that quantifies the global warming potential of various greenhouse gases in terms of carbon dioxide (CO2). Although no specific CO2 regulations exist for heavy-duty off-road machines, future reductions are likely, given stricter emissions standards for on-road vehicles. The heavy-duty off-road sector offers significant fuel-saving potential, as its focus has traditionally been on reliability and performance rather than fuel efficiency. This dissertation examines fuel and CO2e savings opportunities on a heavy-duty off-road material handler, the Pettibone Cary-Lift 204i, from stock configuration to simple modifications to a complete teardown and reconfiguration of the machine with a plug-in series hybrid architecture using electrified hydraulics. The study begins by modeling the baseline machine’s fuel and energy consumption, calibrating with experimental data from custom operating cycles. An energy analysis identifies key areas for fuel savings. Two simple powertrain modifications result in a combined 16.2% fuel savings. Next, a Pugh-style analysis narrows a list of electrified architectures, leading to high-fidelity models that evaluate total lifetime CO2e and costs. Higher electrification levels reduce CO2e emissions but increase costs, and electricity grid emissions significantly impact CO2e for plug-in architectures. A plug-in series hybrid is chosen for the project. In its base control form, 49% fuel and 29% CO2e savings are expected from the plug-in series hybrid compared to the baseline machine. Further savings are pursued through regenerative braking (6.3%) and load-following hydraulic control (17.8%), totaling 24.1% fuel savings, and leading to a total of 61% fuel and 41% CO2e savings compared to the baseline. Battery chemistries and charging strategies are also analyzed for cost and CO2e impacts, finding LFP batteries as superior due to longevity, and overnight level 2 charging usually at a lower cost but resulting in higher emissions than opportunity DC fast-charging (DCFC). DCFC emissions are highly dependent on grid emissions, and DCFC cost is highly dependent on grid demand charges. Finally, artificial intelligence is applied to operating cycle recognition. Neural network accuracy ranges from 81% to 99%, with applications to worksite efficiency and safety improvements.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

UFNet: Joint U-Net and Fully Connected Neural Network to Bias Correct Precipitation Predictions from

Paper information. Shuang Yu, Indrasis Chakraborty, Gemma J. Anderson, Donald D. Lucas, Yannic Lops, and Daniel Galea. UFNet: Joint U-Net and fully connected neural network to bias correct precipitation predictions from climate models. Artificial Intelligence for the Earth Systems, 2024. Overview. This work develops the UFNet methodology to correct E3SM historical precipitation projection bias. The UFNet deep learning framework consists of a two-part architecture: a U-Net convolutional network to capture the spatiotemporal distribution of precipitation and a fully connected network to capture the distribution of higher-order statistics. The joint network, termed UFNet, can simultaneously improve the spatial structure of the modeled precipitation and capture the distribution of extreme precipitation values. Below we provide guidance for applying UFNet to correct the Energy Exascale Earth System Model (E3SM; Golaz et al. 2019) daily precipitation projection over the contiguous United States (CONUS). Getting started 1. Obtain the historical climate simulation and observation data. The E3SM historical simulation data are available through https://aims2.llnl.gov/search/cmip6/. The CPC unified gauge-based analysis of daily precipitation can be found through https://psl.noaa.gov/data/gridded/data.cpc.globalprecip.html. The ECMWF atmospheric reanalysis of the 20th century (ERA-20C) data are available through https://www.ecmwf.int/en/forecasts/datasets/reanalysis-datasets/era-20c. The spatial resolution of E3SM and observed datasets are both regridded to a common 1° resolution grid using conservative interpolation. The regridded E3SM, CPC and ERA-20C with 1° resolution can be found throught ./data/. 2. Train the fully connected network (DNN) Python train_dnn.py 3. Train the UFNet Python train_ufnet.py 4. Evaluation and compared with the baseline Python evaluation.py

Lucas, DonaldD↗
DOE OSTI2021

Differentiable programming for online training of a neural artificial viscosity function within a staggered grid Lagrangian hydrodynamics scheme

Lagrangian methods to solve the inviscid Euler equations produce numerical oscillations near shock waves. A common approach to reducing these oscillations is to add artificial viscosity (AV) to the discrete equations. The AV term acts as a dissipative mechanism that attenuates oscillations by smearing the shock across a finite number of computational cells. However, AV introduces several control parameters that are not determined by the underlying physical model, and hence, in practice are tuned to the characteristics of a given problem. We seek to improve the standard quadratic-linear AV form by replacing it with a learned neural function that reduces oscillations relative to exact solutions of the Euler equations, resulting in a hybrid numerical-neural hydrodynamic solver. Because AV is an artificial construct that exists solely to improve the numerical properties of a hydrodynamic code, there is no offline ‘viscosity data’ against which a neural network can be trained before inserting into a numerical simulation, thus requiring online training. We achieve this via differentiable programming, i.e. end-to-end backpropagation or adjoint solution through both the neural and differential equation code, using automatic differentiation of the hybrid code in the Julia programming language to calculate the necessary loss function gradients. A novel offline pre-training step accelerates training by initializing the neural network to the default numerical AV scheme, which can be learned rapidly by space-filling sampling over the AV input space. We find that online training over early time steps of simulation is sufficient to learn a neural AV function that reduces numerical oscillations in long-term hydrodynamic shock simulations. These results offer an early proof-of-principle that online differentiable training of hybrid numerical schemes with novel neural network components can improve certain performance aspects existing in purely numerical schemes.

97 MATHEMATICS AND COMPUTING↗