Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “physical learning”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Physics-Informed Neural Networks for Heat Transfer Problems

Abstract Physics-informed neural networks (PINNs) have gained popularity across different engineering fields due to their effectiveness in solving realistic problems with noisy data and often partially missing physics. In PINNs, automatic differentiation is leveraged to evaluate differential operators without discretization errors, and a multitask learning problem is defined in order to simultaneously fit observed data while respecting the underlying governing laws of physics. Here, we present applications of PINNs to various prototype heat transfer problems, targeting in particular realistic conditions not readily tackled with traditional computational methods. To this end, we first consider forced and mixed convection with unknown thermal boundary conditions on the heated surfaces and aim to obtain the temperature and velocity fields everywhere in the domain, including the boundaries, given some sparse temperature measurements. We also consider the prototype Stefan problem for two-phase flow, aiming to infer the moving interface, the velocity and temperature fields everywhere as well as the different conductivities of a solid and a liquid phase, given a few temperature measurements inside the domain. Finally, we present some realistic industrial applications related to power electronics to highlight the practicality of PINNs as well as the effective use of neural networks in solving general heat transfer problems of industrial complexity. Taken together, the results presented herein demonstrate that PINNs not only can solve ill-posed problems, which are beyond the reach of traditional computational methods, but they can also bridge the gap between computational and experimental heat transfer.

Engineering↗
DOE OSTI2023

DLIO: A DATA-CENTRIC BENCHMARK FOR DEEP LEARNING APPLICATIONS

SF-22-136 Deep learning has been shown as a successful method for various tasks, and its popularity results in numerous open-source deep learning software tools. Deep learning has been applied to a broad spectrum of scientific domains such as cosmology, particle physics, computer vision, fusion, and astrophysics. Scientists have performed a great deal of work to optimize the computational performance of deep learning frameworks. However, the same cannot be said for I/O performance. As deep learning algorithms rely on big-data volume and variety to effectively train neural networks accurately, I/O is a significant bottleneck on large-scale distributed deep learning training. DLIO, is a novel representative benchmark suite built based on the I/O profiling of the selected workloads. DLIO can be utilized to accurately emulate the I/O behavior of modern deep learning applications. Using DLIO, application developers and system software solution architects can identify potential I/O bottlenecks in their applications and guide optimizations to boost the I/O performance leading to lower training times. The storage vendor can also use DLIO as a guide for designing and optimize the storage and filesystem targeting at deep learning application.

ZHENG, HUIHUO↗
DOE OSTI2024

Statistical Treatment of Convolutional Neural Network Superresolution of Inland Surface Wind for Subgrid-Scale Variability Quantification

Abstract Machine learning models have been employed to perform either physics-free data-driven or hybrid dynamical downscaling of climate data. Most of these implementations operate over relatively small downscaling factors because of the challenge of recovering fine-scale information from coarse data. This limits their compatibility with many global climate model outputs, often available between ∼50- and 100-km resolution, to scales of interest such as cloud resolving or urban scales. This study systematically examines the capability of a type of superresolving convolutional neural network (SR-CNNs) to downscale surface wind speed data over land from different coarse resolutions (25-, 48-, and 100-km resolution) to 3 km. For each downscaling factor, we consider three convolutional neural network (CNN) configurations that generate superresolved predictions of fine-scale wind speed, which take between one and three input fields: coarse wind speed, fine-scale topography, and diurnal cycle. In addition to fine-scale wind speeds, probability density function parameters are generated through which sample wind speeds can be generated, accounting for the intrinsic stochasticity of wind speed. For assessing generalization to new data, CNN models are tested on regions with different topography and climate that are unseen during training. The evaluation of superresolved predictions focuses on subgrid-scale variability and the recovery of extremes. Models with coarse wind and fine topography as inputs exhibit the best performance when compared with other model configurations, operating across the same downscaling factor. Our diurnal cycle encoding results in lower out-of-sample generalizability when compared with other input configurations.

17 WIND ENERGY↗
DOE OSTI2021

Exploring Sensitivity of ICF Outputs to Design Parameters in Experiments Using Machine Learning

We report building a sustainable burn platform in inertial confinement fusion (ICF) requires an understanding of the complex coupling of physical processes and the effects that key experimental design changes have on implosion performance. While simulation codes are used to model ICF implosions, incomplete physics and the need for approximations deteriorate their predictive capability. Identification of relationships between controllable design inputs and measurable outcomes can help guide the future design of experiments and development of simulation codes, which can potentially improve the accuracy of the computational models used to simulate ICF implosions. In this article, we leverage developments in machine learning (ML) and methods for ML feature importance/sensitivity analysis to identify complex relationships in ways that are difficult to process using expert judgment alone. We present work using random forest (RF) regression for prediction of yield, velocity, and other experimental outcomes given a suite of design parameters, along with an assessment of important relationships and uncertainties in the prediction model. We show that RF models are capable of learning and predicting on ICF experimental data with high accuracy, and we extract feature importance metrics that provide insight into the physical significance of different controllable design inputs for various ICF design configurations. These results can be used to augment expert intuition and simulation results for optimal design of future ICF experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Uncertainty quantification in multivariable regression for material property prediction with Bayesian neural networks

With the increased use of data-driven approaches and machine learning-based methods in material science, the importance of reliable uncertainty quantification (UQ) of the predicted variables for informed decision-making cannot be overstated. UQ in material property prediction poses unique challenges, including multi-scale and multi-physics nature of materials, intricate interactions between numerous factors, limited availability of large curated datasets, etc. In this work, we introduce a physics-informed Bayesian Neural Networks (BNNs) approach for UQ, which integrates knowledge from governing laws in materials to guide the models toward physically consistent predictions. To evaluate the approach, we present case studies for predicting the creep rupture life of steel alloys. Experimental validation with three datasets of creep tests demonstrates that this method produces point predictions and uncertainty estimations that are competitive or exceed the performance of conventional UQ methods such as Gaussian Process Regression. Additionally, we evaluate the suitability of employing UQ in an active learning scenario and report competitive performance. The most promising framework for creep life prediction is BNNs based on Markov Chain Monte Carlo approximation of the posterior distribution of network parameters, as it provided more reliable results in comparison to BNNs based on variational inference approximation or related NNs with probabilistic outputs.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Machine Learning of Key Variables Impacting Extreme Precipitation in Various Regions of the Contiguous United States

Abstract Amplification in extreme precipitation intensity and frequency can cause severe flooding and impose significant social and economic consequences. Variations in extreme precipitation intensity, frequencies, and return periods can be attributed to many physical variables across spatial and temporal scales. Here we employ ensemble machine learning (ML) methods, namely random forest (RF), eXtreme Gradient Boosting (XGB), and artificial neural networks (ANN), to explore key contributing variables to monthly extreme precipitation intensity and frequency in six regions over the United States. We further establish emulators for return periods. Results show that the ML models for intensity perform better in regions with obvious seasonality (i.e., Northern Great Plains, Southern Great Plains, and West Coast) than the other three regions (Northeast, Southwest, and Rocky Mountains), while for frequency the models perform well for most regions. The Shapley additive explanation is used to help explain the relationships between extreme precipitation characteristics and identify top variables for RF and XGB. We find that latent heat flux, relative humidity, soil moisture, and large‐scale subsidence are key common variables across the regions for both monthly intensity and frequency, and their compound effects are non‐negligible. The developed ML models capture the probability and return period of extreme precipitation well for all regions and may be used for decision making (e.g., infrastructure planning and design).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Full event interpretation with machine-learning-based particle-flow reconstruction in the CMS detector

The particle-flow (PF) algorithm constructs a global description of each particle collision by producing a comprehensive list of final-state particles, and is central to event reconstruction in the CMS experiment at the CERN LHC. The existing PF implementation relies on physics-motivated heuristics and assumptions that can be replaced by machine-learning (ML) models trained directly on simulated data and naturally suited to modern graphics processing units (GPUs). A state-of-the-art ML-based PF (MLPF) reconstruction algorithm, implemented within the CMS software framework, is presented. The MLPF algorithm performs a learnable full-event reconstruction on GPUs, generalizes across detector conditions and collision energies, and replaces multiple modular reconstruction steps with a single unified model. Physics performance comparable to standard PF reconstruction is achieved in both simulation and data, with improved jet energy resolution and inference time. In simulated top quark-antiquark events under LHC Run-3 (2023-2024) conditions, the jet energy resolution improves by 10-20% for jets with transverse momentum between 30-100 GeV. Inference time is evaluated using simulated multijet events, with a median of $20\,\hbox {ms}$ per event on an Nvidia L4 GPU, compared to approximately $110\,\hbox {ms}$ for the standard CMS PF reconstruction.

Hayrapetyan, Aram [Yerevan Phys. Inst.]↗
DOE OSTI2022

Validation and parameterization of a novel physics-constrained neural dynamics model applied to turbulent fluid flow

We report, in fluid physics, data-driven models to enhance or accelerate time to solution are becoming increasingly popular for many application domains, such as alternatives to turbulence closures, system surrogates, or for new physics discovery. In the context of reduced order models of high-dimensional time-dependent fluid systems, machine learning methods grant the benefit of automated learning from data, but the burden of a model lies on its reduced-order representation of both the fluid state and physical dynamics. In this work, we build a physics-constrained, data-driven reduced order model for Navier–Stokes equations to approximate spatiotemporal fluid dynamics in the canonical case of isotropic turbulence in a triply periodic box. The model design choices mimic numerical and physical constraints by, for example, implicitly enforcing the incompressibility constraint and utilizing continuous neural ordinary differential equations for tracking the evolution of the governing differential equation. We demonstrate this technique on a three-dimensional, moderate Reynolds number turbulent fluid flow. In assessing the statistical quality and characteristics of the machine-learned model through rigorous diagnostic tests, we find that our model is capable of reconstructing the dynamics of the flow over large integral timescales, favoring accuracy at the larger length scales. More significantly, comprehensive diagnostics suggest that physically interpretable model parameters, corresponding to the representations of the fluid state and dynamics, have attributable and quantifiable impact on the quality of the model predictions and computational complexity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

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

This project set out with an ambitious goal: to develop and apply machine learning-based methods of discovering new controllers and operating regimes for achieving better performing plasmas in tokamaks. As summarized in the dozens of papers below, the project was a huge success. It developed several machine learning components and integrated them into a single ML system that was added to the DIII-D PCS. That functionality was demonstrated over a series of experiments on DIII-D. A brief summary of these results is given here with the details in the published papers below.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Accuracy, transferability, and computational efficiency of interatomic potentials for simulations of carbon under extreme conditions

Large-scale atomistic molecular dynamics (MD) simulations provide an exceptional opportunity to advance the fundamental understanding of carbon under extreme conditions of high pressures and temperatures. However, the fidelity of these simulations depends heavily on the accuracy of classical interatomic potentials governing the dynamics of many-atom systems. Here, this study critically assesses several popular empirical potentials for carbon, as well as machine learning interatomic potentials (MLIPs), in their ability to simulate a range of physical properties at high pressures and temperatures, including the diamond equation of state, its melting line, shock Hugoniot, uniaxial compressions, and the structure of liquid carbon. Empirical potentials fail to accurately predict the behavior of carbon under high pressure–temperature conditions. In contrast, MLIPs demonstrate quantum accuracy, with Spectral Neighbor Analysis Potential (SNAP) and atomic cluster expansion (ACE) being the most accurate in reproducing the density functional theory results. ACE displays remarkable transferability despite not being specifically trained for extreme conditions. Furthermore, ACE and SNAP exhibit superior computational performance on graphics processing unit-based systems in billion atom MD simulations, with SNAP emerging as the fastest. In addition to offering practical guidance in selecting an interatomic potential with a fine balance of accuracy, transferability, and computational efficiency, this work also highlights transformative opportunities for groundbreaking scientific discoveries facilitated by quantum-accurate MD simulations with MLIPs on emerging exascale supercomputers.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Toward particle accelerator machine state embeddings as a modality for large language models

Understanding and diagnosing the state of a particle accelerator requires navigating high-dimensional control system data, often involving hundreds of interdependent parameters. We propose a novel multimodal embedding framework that jointly learns representations of machine states from both numerical control system readouts and natural language descriptions. This enables the translation of complex machine conditions into human-readable summaries while maintaining fidelity to the underlying physical system. The obtained embeddings are subsequently adapted to an open-weights large language model via cross-attention conditioning. We demonstrate a first implementation trained on European XFEL machine state data. This work covers the embedding model architecture, training methodology, and presents initial examples demonstrating the model's capabilities in action. Due to the general concept of machine state, the model can be easily adapted to other facilities and control system environments.

Accelerator Physics↗
DOE OSTI2024

Deep kernel methods learn better: from cards to process optimization

Abstract The ability of deep learning methods to perform classification and regression tasks relies heavily on their capacity to uncover manifolds in high-dimensional data spaces and project them into low-dimensional representation spaces. In this study, we investigate the structure and character of the manifolds generated by classical variational autoencoder (VAE) approaches and deep kernel learning (DKL). In the former case, the structure of the latent space is determined by the properties of the input data alone, while in the latter, the latent manifold forms as a result of an active learning process that balances the data distribution and target functionalities. We show that DKL with active learning can produce a more compact and smooth latent space which is more conducive to optimization compared to previously reported methods, such as the VAE. We demonstrate this behavior using a simple cards dataset and extend it to the optimization of domain-generated trajectories in physical systems. Our findings suggest that latent manifolds constructed through active learning have a more beneficial structure for optimization problems, especially in feature-rich target-poor scenarios that are common in domain sciences, such as materials synthesis, energy storage, and molecular discovery. The Jupyter Notebooks that encapsulate the complete analysis accompany the article.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Diii-D Research Advancing The Physics Basis For Optimizing The Tokamak Approach To Fusion Energy

DIII-D physics research addresses critical challenges for operation of ITER and the next generation of fusion energy devices. This is done through a focus on innovations to provide solutions for high performance long pulse operation, coupled with fundamental plasma physics understanding and model validation, to drive scenario development by integrating high performance core and boundary plasmas. Substantial increases in off-axis current drive efficiency from an innovative top launch system for EC power, and in pressure broadening for Alfven eigenmode control from a co-/counter-Ip steerable off-axis neutral beam, all improve the prospects for optimization of future long pulse/steady state high performance tokamak operation. Fundamental studies into the modes that drive the evolution of the pedestal pressure profile and electron vs. ion heat flux validate predictive models of pedestal recovery after ELMs. Understanding the physics mechanisms of ELM control and density pumpout by 3D magnetic perturbation fields leads to confident predictions for ITER and future devices. Validated modeling of high-Z shattered pellet injection for disruption mitigation, runaway electron dissipation, and techniques for disruption prediction and avoidance including machine learning, give confidence in handling disruptivity for future devices. With this physics understanding and suite of actuators, a high poloidal beta optimized-core scenario with an internal transport barrier that projects nearly to Q=10 in ITER at 9 MA was coupled to a detached divertor, and a near Super H-mode optimized-pedestal scenario with co-Ip beam injection, was coupled to a radiative divertor. The Hybrid core scenario was achieved directly, without the need for internal flux pumping, using off-axis current drive actuators, and a controller to avoid mode locking and disruptions in the ITER baseline scenario, based on plasma response to probing 3D fields, was demonstrated. Finally innovative tokamak operation using a negative triangularity shape showed many attractive features for future pilot plant operation.

Fenstermacher, M.↗
DOE OSTI2024

Phase retrieval for refraction-enhanced x-ray radiography using a deep neural network

X-ray refraction-enhanced radiography (RER) or phase contrast imaging is widely used to study internal discontinuities within materials. The resulting radiograph captures both the decrease in intensity caused by material absorption along the x-ray path, as well as the phase shift, which is highly sensitive to gradients in density. A significant challenge lies in effectively analyzing the radiographs to decouple the intensity and phase information and accurately ascertain the density profile. Conventional algorithms often yield ambiguous and unrealistic results due to difficulties in including physical constraints and other relevant information. We have developed an algorithm that uses a deep neural network to address these issues and applied it to extract the detailed density profile from an experimental RER. To generalize the applicability of our algorithm, we have developed a technique that quantitatively evaluates the complexity of the phase retrieval process based on the characteristics of the sample and the configuration of the experiment. Accordingly, this evaluation aids in the selection of the neural network architecture for each specific case. Beyond RER, the model has potential applications for other diagnostics where phase retrieval analysis is required.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Spin-crossover complexes: Self-interaction correction vs density correction

Complexes containing a transition metal atom with a 3d 4 –3d 7 electron configuration typically have two low-lying, high-spin (HS) and low-spin (LS) states. The adiabatic energy difference between these states, known as the spin-crossover energy, is small enough to pose a challenge even for electronic structure methods that are well known for their accuracy and reliability. In this work, we analyze the quality of electronic structure approximations for spin-crossover energies of iron complexes with four different ligands by comparing energies from self-consistent and post-self-consistent calculations for methods based on the random phase approximation and the Fermi–Löwdin self-interaction correction. Considering that Hartree–Fock densities were found by Song et al., J. Chem. Theory Comput. 14, 2304 (2018), to eliminate the density error to a large extent, and that the Hartree–Fock method and the Perdew–Zunger-type self-interaction correction share some physics, we compare the densities obtained with these methods to learn their resemblance. Here, we find that evaluating non-empirical exchange-correlation energy functionals on the corresponding self-interaction-corrected densities can mitigate the strong density errors and improves the accuracy of the adiabatic energy differences between HS and LS states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Data-based and secure switched cyber–physical systems

In this work, we develop a completely model-free moving target defense framework for the detection and mitigation of sensor and/or actuator attacks in cyber–physical systems with dynamics that evolve in discrete-time. We incorporate an intrusion detection mechanism based on an approximate dynamic programming technique that learns the policies for optimal regulation and optimal tracking while simultaneously defending against actuator and sensor attacks in a model-free fashion. Switching rules are leveraged to force proactive and reactive defense mechanisms as well as, guarantee the stability of the equilibrium point. Finally, as a case study, we apply the proposed moving target defense framework to a DC–DC converter that is used in electric vehicles.

42 ENGINEERING↗
DOE OSTI2023

A Self-Sustained CPS Design for Reliable Wildfire Monitoring

Continuous monitoring of areas nearby the electric grid is critical for preventing and early detection of devastating wildfires. Existing wildfire monitoring systems are intermittent and oblivious to local ambient risk factors, resulting in poor wildfire awareness. Ambient sensor suites deployed near the gridlines can increase the monitoring granularity and detection accuracy. However, these sensors must address two challenging and competing objectives at the same time. First, they must remain powered for years without manual maintenance due to their remote locations. Second, they must provide and transmit reliable information if and when a wildfire starts. The first objective requires aggressive energy savings and ambient energy harvesting, while the second requires continuous operation of a range of sensors. To the best of our knowledge, this paper presents the first self-sustained cyber-physical system that dynamically co-optimizes the wildfire detection accuracy and active time of sensors. The proposed approach employs reinforcement learning to train a policy that controls the sensor operations as a function of the environment (i.e., current sensor readings), harvested energy, and battery level. Here, the proposed cyber-physical system is evaluated extensively using real-life temperature, wind, and solar energy harvesting datasets and an open-source wildfire simulator. In long-term (5 years) evaluations, the proposed framework achieves 89% uptime, which is 46% higher than a carefully tuned heuristic approach. At the same time, it averages a 2-minute initial response time, which is at least 2.5× faster than the same heuristic approach. Furthermore, the policy network consumes 0.6 mJ per day on the TI CC2652R microcontroller using TensorFlow Lite for Micro, which is negligible compared to the daily sensor suite energy consumption.

54 ENVIRONMENTAL SCIENCES↗