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DOE OSTI2025

Optical neural engine for solving scientific partial differential equations

Abstract Solving partial differential equations (PDEs) is the cornerstone of scientific research and development. Data-driven machine learning (ML) approaches are emerging to accelerate time-consuming and computation-intensive numerical simulations of PDEs. Although optical systems offer high-throughput and energy-efficient ML hardware, their demonstration for solving PDEs is limited. Here, we present an optical neural engine (ONE) architecture combining diffractive optical neural networks for Fourier space processing and optical crossbar structures for real space processing to solve time-dependent and time-independent PDEs in diverse disciplines, including Darcy flow equation, the magnetostatic Poisson’s equation in demagnetization, the Navier-Stokes equation in incompressible fluid, Maxwell’s equations in nanophotonic metasurfaces, and coupled PDEs in a multiphysics system. We numerically and experimentally demonstrate the capability of the ONE architecture, which not only leverages the advantages of high-performance dual-space processing for outperforming traditional PDE solvers and being comparable with state-of-the-art ML models but also can be implemented using optical computing hardware with unique features of low-energy and highly parallel constant-time processing irrespective of model scales and real-time reconfigurability for tackling multiple tasks with the same architecture. The demonstrated architecture offers a versatile and powerful platform for large-scale scientific and engineering computations.

Tang, Yingheng (ORCID:0009000153622546)↗

DOE OSTI2025

On the effectiveness of neural operators at zero-shot weather downscaling

Machine-learning (ML) methods have shown great potential for weather downscaling. These data-driven approaches provide a more efficient alternative for producing high-resolution weather datasets and forecasts compared to physics-based numerical simulations. Neural operators, which learn solution operators for a family of partial differential equations, have shown great success in scientific ML applications involving physics-driven datasets. Neural operators are grid-resolution-invariant and are often evaluated on higher grid resolutions than they are trained on, i.e., zero-shot super-resolution. Given their promising zero-shot super-resolution performance on dynamical systems emulation, we present a critical investigation of their zero-shot weather downscaling capabilities, which is when models are tasked with producing high-resolution outputs using higher upsampling factors than are seen during training. To this end, we create two realistic downscaling experiments with challenging upsampling factors (e.g., 8x and 15x) across data from different simulations: the European Centre for Medium-Range Weather Forecasts Reanalysis version 5 (ERA5) and the Wind Integration National Dataset Toolkit. While neural operator-based downscaling models perform better than interpolation and a simple convolutional baseline, we show the surprising performance of an approach that combines a powerful transformer-based model with parameter-free interpolation at zero-shot weather downscaling. We find that this Swin-Transformer-based approach mostly outperforms models with neural operator layers in terms of average error metrics, whereas an Enhanced Super-Resolution Generative Adversarial Network-based approach is better than most models in terms of capturing the physics of the ground truth data. We suggest their use in future work as strong baselines.

17 WIND ENERGY↗

DOE OSTI2021

Application of Machine Learning Techniques to an Agent-Based Model of Pantoea

Agent-based modeling (ABM) is a powerful simulation technique which describes a complex dynamic system based on its interacting constituent entities. While the flexibility of ABM enables broad application, the complexity of real-world models demands intensive computing resources and computational time; however, a metamodel may be constructed to gain insight at less computational expense. Here, we developed a model in NetLogo to describe the growth of a microbial population consisting of Pantoea . We applied 13 parameters that defined the model and actively changed seven of the parameters to modulate the evolution of the population curve in response to these changes. We efficiently performed more than 3,000 simulations using a Python wrapper, NL4Py . Upon evaluation of the correlation between the active parameters and outputs by random forest regression, we found that the parameters which define the depth of medium and glucose concentration affect the population curves significantly. Subsequently, we constructed a metamodel, a dense neural network, to predict the simulation outputs from the active parameters and found that it achieves high prediction accuracy, reaching an R 2 coefficient of determination value up to 0.92. Our approach of using a combination of ABM with random forest regression and neural network reduces the number of required ABM simulations. The simplified and refined metamodels may provide insights into the complex dynamic system before their transition to more sophisticated models that run on high-performance computing systems. The ultimate goal is to build a bridge between simulation and experiment, allowing model validation by comparing the simulated data to experimental data in microbiology.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

Using Real-Time Electricity Prices to Leverage Electrical Energy Storage and Flexible Loads in a Smart Grid Environment Utilizing Machine Learning Techniques

With exposure to real-time market pricing structures, consumers would be incentivized to invest in electrical energy storage systems and smart predictive automation of their home energy systems. Smart home automation through optimizing HVAC (heating, ventilation, and air conditioning) temperature set points, along with distributed energy storage, could be utilized in the process of optimizing the operation of the electric grid. Using electricity prices as decision variables to leverage electrical energy storage and flexible loads can be a valuable tool to optimize the performance of the power grid and reduce electricity costs both on the supply and demand sides. Energy demand prediction is important for proper allocation and utilization of the available resources. Manipulating energy prices to leverage storage and flexible loads through these demand prediction models is a novel idea that needs to be studied. In this paper, different models for proactive prediction of the energy demand for an entire city using different machine learning techniques are presented and compared. The results of the machine learning techniques show that the proposed nonlinear autoregressive with exogenous inputs neural network model resulted in the most accurate predictions. These prediction models pave the way for the demand side to become an important asset for grid regulation by responding to variable price signals through battery energy storage and passive thermal energy storage using HVAC temperature set points.

25 ENERGY STORAGE↗

DOE OSTI2023

Toward prediction of turbulent atmospheric flows over propagating oceanic waves via machine-learning augmented large-eddy simulation

Wind-wave interactions have important effects on the energy harvesting of offshore wind farms. High-fidelity large-eddy simulation (LES) is a powerful approach for investigating wind-wave interactions in turbulent oceanic environments. Due to the large scale of the flow domain and the high grid resolution required to resolve multi-scale flow motions, however, brute-force LES of wind-wave interactions is computationally very expensive. We propose augmenting brute-force LES via machine-learning data-driven modeling (ML-LES) to dramatically reduce the computational time required to obtain converged turbulence statistics when the brute-force approach is employed. Namely, we employ a convolutional neural network (CNN) autoencoder trained and validated with LES data sets to develop a highly efficient ML-LES approach for computing turbulence statistics from just a few snapshots of instantaneous LES flow fields. Further, our results demonstrate the accuracy and efficiency of ML-LES in predicting the mean velocity, velocity fluctuations, and turbulence kinetic energy in highly stretched computational grid systems required to carry out simulations in real-life oceanic environments.

42 ENGINEERING↗

DOE OSTI2018

Performance of Advanced Signal Processing and Pattern Recognition Algorithms Using Raw Data from Ultrasonic Guided Waves and Fiber Optics Transducers

The Light Water Reactor Sustainability Program was initiated to evaluate technologies that could be used to perform online monitoring of piping and other secondary system structural components in commercial nuclear power plants. These online monitoring systems have the potential to identify when a more detailed inspection is needed using real-time measurements, rather than at a pre-determined inspection interval. This transition to condition-based, risk-informed automated maintenance will contribute to a significant reduction of operations and maintenance costs that account for most nuclear power generation costs. This report describes the current state of research related to ultrasonic guided wave testing and its application to detecting defects in commercial nuclear power plants. The report analyzes the applicability of the guided wave technology to secondary piping systems, as well as studying the potential for expanding the range of guided wave technology to include bent piping and other piping components. The ultrasonic guided waves can inspect long stretches of straight piping; however, more complex geometries such as elbows, welds, and tees are causing spurious reflections and coherent noise, which significantly decreases the sensitivity of the technique. To deal with these limitations, high-definition fiber optic sensors are applied to complex piping geometries, and advanced machine learning algorithms are used to detect deviations from healthy states. This report also analyzes the performance of advanced signal processing and machine learning-based pattern recognition algorithms in detecting defects in secondary structures. It is demonstrated on guided wave data collected at nuclear power plants that the independent component analysis can separate different coherent noise components and segregate them from useful signals. It also demonstrates that advanced machine learning techniques, such as neural networks, support vector machines, and deep learning networks, can detect minor defects present in inspected structures. Recommendation about the applicability of advanced machine learning techniques to online piping monitoring are also given.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRSDate not supplied

Stiffness and Fatigue Life Estimator for Polymer Composite Laminates Using Machine Learning

Machine learning (ML) models are increasingly being used in many engineering fields due to the advancements in ML algorithms and availability of high-speed computing power. One of the most popular ML class of models is artificial neural networks (ANN). ML is increasingly being used in the design and analysis of composite materials and structures, specifically in the constitutive modeling of composite materials with the focus on greatly accelerating multiscale analyses of composite materials and structures through development of surrogate models. Towards that end, Python-based neural nets have been developed to predict initial stiffness and fatigue life of an eight-ply symmetric polymer matrix composite laminate. Two types of neural networks, a Multilayer Perceptron (MLP) and a Recurrent Neural Network (RNN), have been established. Results show that both neural net type algorithms can provide an excellent estimate of initial laminate stiffness as well as fatigue life of eight-ply symmetric polymer matrix composite laminates (PMCs). RNNs are better able to capture the shape of the fatigue curve of a laminate. The resulting tool and GUI can be very useful for system level studies to obtain an estimate of desired properties and life of PMC composite laminates. Further, the associated surrogate models can also be used in composite multiscale analyses to replace the actual physics-based calculations at lower scales and thereby significantly increase the computational efficiency of such analyses and thus make micromechanics-based multiscale analyses a viable industrial tool for large scale structural problems.

multiscale analysis↗

NASA NTRS2023

Stiffness and Fatigue Life Estimator for Polymer Composite Laminates Using Machine Learning

multiscale analysis↗

DOE OSTI2018

User-level File Systems Specialized for HPC Workloads Year-End Report

High-performance computing (HPC) clusters attract the attention of Deep Learning (DL) training users due to the clusters' powerful computation capabilities. While there have been many existing efforts to enable deep neural works to leverage the powerful CPU and GPU processors from leadership high-performance computing (HPC) systems, large-scale deep learning with larger datasets requires efficient I/O support from the underlying file and storage systems. As some current and upcoming HPC clusters have large on-node memory or are equipped with NVMe SSD on compute nodes, more distributed DL trainings are considered to leverage those storages to store dataset for efficient dataset access. Our project goal is to design a specialized DL-oriented file system to improve datasets loading performance of any DL training applications. Over the past year, the team at Florida State University has performed research activities in three different aspects, including 1) completing a specialized memory-based I/O framework (DeepIO) for improving dataset loading performance on DL applications; 2) proposing a more generalized file system (DLFS) for DL applications on node-local SSDs; 3) completing the BeeGFS performance evaluation project for Deep Neural Networks.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2023

Prediction of Stiffness and Fatigue Lives of Polymer Matrix Composite Laminates Using Artificial Neural Networks

Machine learning (ML) models are increasingly being used in many engineering fields due to the advancements in ML algorithms and availability of high-speed computing power. One of the most popular ML class of models is artificial neural networks (ANN). ML is increasingly being used in the design and analysis of composite materials and structures, specifically in the constitutive modeling of composite materials with the focus on greatly accelerating multiscale analyses of composite materials and structures through development of surrogate models. Towards that end, both Python and MATLAB-based neural nets have been developed to predict initial stiffness and fatigue life of an eight-ply symmetric polymer matrix composite laminate. Two types of neural networks, a Multilayer Perceptron (MLP) and a Recurrent Neural Network (RNN), have been developed for both platforms. Results show that the both neural net types can provide an excellent estimate of initial stiffness as well as fatigue life of eight-ply symmetric polymer matrix composite laminate. RNNs are better able to capture the shape of the fatigue curve of a laminate. This tool can be very useful for system level studies to obtain an estimate of desired properties and life of PMC composite laminates. The associated surrogate models could also be used in composite multiscale analyses to replace the actual physics-based calculations at lower scales and thereby significantly increase the computational efficiency of such analyses and thus make multiscale analyses a viable industrial tool for large scale structural problems.

Composite↗

NASA NTRS2005

NASA Tech Briefs, May 2005

Topics covered include: Fastener Starter; Multifunctional Deployment Hinges Rigidified by Ultraviolet; Temperature-Controlled Clamping and Releasing Mechanism; Long-Range Emergency Preemption of Traffic Lights; High-Efficiency Microwave Power Amplifier; Improvements of ModalMax High-Fidelity Piezoelectric Audio Device; Alumina or Semiconductor Ribbon Waveguides at 30 to 1,000 GHz; HEMT Frequency Doubler with Output at 300 GHz; Single-Chip FPGA Azimuth Pre-Filter for SAR; Autonomous Navigation by a Mobile Robot; Software Would Largely Automate Design of Kalman Filter; Predicting Flows of Rarefied Gases; Centralized Planning for Multiple Exploratory Robots; Electronic Router; Piezo-Operated Shutter Mechanism Moves 1.5 cm; Two SMA-Actuated Miniature Mechanisms; Vortobots; Ultrasonic/Sonic Jackhammer; Removing Pathogens Using Nano-Ceramic-Fiber Filters; Satellite-Derived Management Zones; Digital Equivalent Data System for XRF Labeling of Objects; Identifying Objects via Encased X-Ray-Fluorescent Materials - the Bar Code Inside; Vacuum Attachment for XRF Scanner; Simultaneous Conoscopic Holography and Raman Spectroscopy; Adding GaAs Monolayers to InAs Quantum-Dot Lasers on (001) InP; Vibrating Optical Fibers to Make Laser Speckle Disappear; Adaptive Filtering Using Recurrent Neural Networks; and Applying Standard Interfaces to a Process-Control Language.

Source record↗

DOE OSTI2024

Physics-Guided, Physics-Informed, and Physics-Encoded Neural Networks and Operators in Scientific Computing: Fluid and Solid Mechanics

Abstract Advancements in computing power have recently made it possible to utilize machine learning and deep learning to push scientific computing forward in a range of disciplines, such as fluid mechanics, solid mechanics, materials science, etc. The incorporation of neural networks is particularly crucial in this hybridization process. Due to their intrinsic architecture, conventional neural networks cannot be successfully trained and scoped when data are sparse, which is the case in many scientific and engineering domains. Nonetheless, neural networks provide a solid foundation to respect physics-driven or knowledge-based constraints during training. Generally speaking, there are three distinct neural network frameworks to enforce the underlying physics: (i) physics-guided neural networks (PgNNs), (ii) physics-informed neural networks (PiNNs), and (iii) physics-encoded neural networks (PeNNs). These methods provide distinct advantages for accelerating the numerical modeling of complex multiscale multiphysics phenomena. In addition, the recent developments in neural operators (NOs) add another dimension to these new simulation paradigms, especially when the real-time prediction of complex multiphysics systems is required. All these models also come with their own unique drawbacks and limitations that call for further fundamental research. This study aims to present a review of the four neural network frameworks (i.e., PgNNs, PiNNs, PeNNs, and NOs) used in scientific computing research. The state-of-the-art architectures and their applications are reviewed, limitations are discussed, and future research opportunities are presented in terms of improving algorithms, considering causalities, expanding applications, and coupling scientific and deep learning solvers.

Computer Science↗

DOE OSTI2024

Non-Stationary Policy Learning for Multi-Timescale Multi-Agent Reinforcement Learning

In multi-timescale multi-agent reinforcement learning (MARL), agents interact across different timescales. In general, policies for time-dependent behaviors, such as those induced by multiple timescales, are non-stationary. Learning non-stationary policies is challenging and typically requires sophisticated or inefficient algorithms. Motivated by the prevalence of this control problem in real-world complex systems, we introduce a simple framework for learning non-stationary policies for multi-timescale MARL. Our approach uses available information about agent timescales to define and learn periodic multi-agent policies. In detail, we theoretically demonstrate that the effects of non-stationarity introduced by multiple timescales can be learned by a periodic multi-agent policy. To learn such policies, we propose a policy gradient algorithm that parameterizes the actor and critic with phase-functioned neural networks, which provide an inductive bias for periodicity. The framework's ability to effectively learn multi-timescale policies is validated on a gridworld and building energy management environment.

control↗

DOE OSTI2021

Verification and validation of developed short-term forecasting models

Recent advancements in machine learning (ML) and artificial intelligence (AI) technologies provide an opportunity for leveraging data-driven algorithms to predict future nuclear power plant (NPP) operating conditions by using recorded plant process data. Successfully implementing these models can lead to cost-reducing, conditioned-based predictive maintenance through optimized maintenance schedules and a reduction of unnecessary maintenance activities. This report discusses the verification and validation of short-term forecasting processes (i.e., data cleaning, feature selection, model optimization, and forecasting) developed in previous reports. The verification and validation (V&V) process demonstrates the expected precision and accuracy when the ML model encounters new datasets from different systems. Shapley additive explanations were used as the primary means of feature selection across these different data set. Individual models were trained for each data set, then validated through a cross-validation procedure. In this report, two different ML models were tasked to predict variables from three different plant process data sets with varying prediction horizons. The results indicate that support vector regression (SVR) outperformed long short-term memory (LSTM) neural networks in regard to each data set and each prediction horizon in this study, but further tuning and optimization could improve long short-term memory results. However, each forecasting model showed reduced performance as the prediction horizon was extended from 1 hour to 1 day ahead. Research is ongoing to evaluate the optimal input variable space, which is based on a given set of process parameters, to further improve forecasting accuracy.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2015

Consideration for the application of artificial neural networks to criticality code validation - 14270

The artificial neural network (ANN) is a consistent example for non-parametric parameter estimation and regression, with powerful universal approximation properties, that is distribution independent. ANN application to criticality code validation centers on aligning mathematical relationships between code validation parameters and neural network prediction for those parameter values. Two specific goals are: (1) an appropriate ANN architecture to determine validation parameter values, and (2) bootstrapping individual ANNs as a 'Prediction Interval' (PI) technique to estimate the Calculation Margin and Upper Subcritical Limit. The individual ANN workflow is segregated into Training, Validation (network), and Testing Sets, where the network predictive properties and performance are expressed in the latter set. The Bootstrap ANN replicates a large set of individual ANNs (taken from the original data distribution) where (1-α/2)100% PI estimates can be determined. Results from the ANN method are compared to a variety of validation examples: a 'toy example' from ANSI/ANS-8.24, Appendix D, a variety of methods noted in a Nuclear Criticality Safety Division 2009 paper, and several validation campaigns for highly enriched uranium and plutonium systems. The ANN method is robust and can be applied to single or multivariate inputs. A trained ANN can provide both an average estimate (e.g., single value) and an estimate over a range of independent variable values where the kUSL can be formed in a regression relationship suitable for extrapolation. The input dependence has been tested, ranging from 15 to over 400 sample size distributions. An expanded Shapiro-Wilk test (for sample sizes up to 5000) was implemented to confirm that the ANN method is transparent to distribution function. The Principle Component Analysis method was applied as an input preprocessing step embedded within the ANN in order to reduce dimensionality and correlation for multivariable inputs. This can potentially aid in determining accurate margins over applying arbitrary margins. The automatic optimization of the Bootstrap ANN PI is left for future consideration. (authors)

42 ENGINEERING↗

DOE OSTI2025

Machine Learning for Real-time Fusion Plasma Behavior Prediction and Manipulation (Final Report)

The goal of this project is to implement real-time analysis of 2D Beam Emission Spectroscopy (BES) data to predict and control transient and high-bandwidth events at DIII-D. In essence, we wish to bring high-bandwidth fluctuation diagnostics into the realm of real-time measurements and control. The BES ML models will necessarily be deep neural networks (DNN) with a “data flow” architecture for compatibility with high-throughput, low-latency evaluation on a field-programmable gate array (FPGA) or other emerging processor technologies. The real-time output will be fed to the plasma control system (PCS) for real-time control tasks, specifically for ELM control and avoidance and for QH-mode access and sustainment. We anticipate that the real-time analysis of fluctuation diagnostics will create new enabling technologies to predict and control transient events such as confinement mode transitions, edge-localized modes, Alfven eigenmode events, and disruptions. The proposed research is aligned with ITER research needs and DIII-D programmatic goals. For instance, the prediction and avoidance of ELM events is critical for ITER machine safety. Also, H-mode access with RMP ELM suppression in ITER is an active research area due to high separatrix density, narrow SOL width, and elevated LH transition power threshold.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Modeling Time-Dependent Surrogates of Additive-Manufactured Nuclear Fuels Processes

Additive manufacturing (AM) technology is being increasingly adopted in a wide variety of application areas for its ability to rapidly produce, prototype, and customize designs. Recently, a hybrid AM technique was successfully developed at Idaho National Laboratory (INL) to manufacture nuclear fuels [1]. Despite the advantages, this AM technique needs optimization due to defects from a highly complex melting and sintering process. The complex metallurgical phenomena during AM processes are strongly related to parameters such as applied laser power, traveling speed, and scan style, which could lead to differences in density, residual stress, crystallographic texture, and mechanical properties. In addition, stochastic variations in laser energy interaction and associated multiscale/multiphysics phenomena cause variations in microstructure evolution and mechanical properties. Currently, researchers at INL are focusing on developing a comprehensive modeling framework, leveraging INL’s simulation tools MOOSE/MARMOT/BISON/RAVEN [2-4] to describe all steps of this AM process across multiple length scales. Although this advanced framework plays a critical role in enabling enhancements to traditional trial and error approaches for design and optimization of nuclear fuel materials, it remains computationally intense, limiting its use in sensitivity and optimization analysis. In this case, an accurate and inexpensive surrogate becomes an effective tool for providing a tractable approximation of the underlying underline physics. Surrogate models generally not based on the physics of a system are purely mathematical models used to capture the relationships between specific system inputs and outputs. Popular approaches, including neural networks [5], response surfaces [6], and subspace-based reduced order models [7], have been applied to a wide range of disciplines, such as nuclear reactor design, aerospace design and automotive design. In this summary, we employ advanced time-dependent surrogate models such as high-dimensional model representation (HDMR) [8] and physics-informed deep neural network (PINNs) [9] to accelerate the design and optimization of AM process.

42 ENGINEERING↗

DOE OSTI2014

Searching for pulsars using image pattern recognition

In the modern era of big data, many fields of astronomy are generating huge volumes of data, the analysis of which can sometimes be the limiting factor in research. Fortunately, computer scientists have developed powerful data-mining techniques that can be applied to various fields. In this paper, we present a novel artificial intelligence (AI) program that identifies pulsars from recent surveys by using image pattern recognition with deep neural nets—the PICS (Pulsar Image-based Classification System) AI. The AI mimics human experts and distinguishes pulsars from noise and interference by looking for patterns from candidate plots. Different from other pulsar selection programs that search for expected patterns, the PICS AI is taught the salient features of different pulsars from a set of human-labeled candidates through machine learning. The training candidates are collected from the Pulsar Arecibo L-band Feed Array (PALFA) survey. The information from each pulsar candidate is synthesized in four diagnostic plots, which consist of image data with up to thousands of pixels. The AI takes these data from each candidate as its input and uses thousands of such candidates to train its ∼9000 neurons. The deep neural networks in this AI system grant it superior ability to recognize various types of pulsars as well as their harmonic signals. The trained AI's performance has been validated with a large set of candidates from a different pulsar survey, the Green Bank North Celestial Cap survey. In this completely independent test, the PICS ranked 264 out of 277 pulsar-related candidates, including all 56 previously known pulsars and 208 of their harmonics, in the top 961 (1%) of 90,008 test candidates, missing only 13 harmonics. The first non-pulsar candidate appears at rank 187, following 45 pulsars and 141 harmonics. In other words, 100% of the pulsars were ranked in the top 1% of all candidates, while 80% were ranked higher than any noise or interference. The performance of this system can be improved over time as more training data are accumulated. This AI system has been integrated into the PALFA survey pipeline and has discovered six new pulsars to date.

79 ASTRONOMY AND ASTROPHYSICS↗