Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Physics Informed Machine 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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
NASA NTRS2022

Hybrid Model Based Approaches for Systems Health Management and Prognostics

This is a previously approved and published presentation. To accurately predict the future state of any system, it is required to possess knowledge of its current health state and future operational conditions. Present achievements of data-driven algorithms in regression of complex nonlinear functions and classification tasks have generated a growing interest in artificial intelligence for industrial applications. Complex multi-physics models as well as digital twins, once purely built on physics and corresponding simplified lumped parameter iterations, can now benefit from machine learning algorithms to mitigate the lack of understanding of some complex behavior. Given models of the current and future system behavior, a general approach of model-based prognostics can solve the prediction problem and further decision-making. In principle, data-driven approaches can replace expensive experimental test-setups as well as reduce the number of simulations needed to explore, e.g., the parametric space of a multi-parameter model. Nonetheless, the limitations of pure data-driven methods came to light rather quickly, at least for some industries. In many industrial applications, data acquisition is costly, and the volume of data that can be collected does not satisfy the requirements for effective model training and cross-validation. Therefore, some recent works in the area of machine learning is focusing on blending physics with data-driven algorithms, thus mitigating the drawbacks of the two approaches and emphasizing respective advantages. Partial physical knowledge of the problem can aid the learning process by “guiding” the algorithm towards efficient solutions that satisfy the physics driving the system behavior. The result is a hybrid modeling approach combining physical knowledge as well data-driven methods to develop a unified hybrid approach. A hybrid framework for fusing information from physics-based performance models along with deep learning algorithms for prognostics of complex safety-critical systems is presented. In this framework, physics-based performance models infer unobservable model parameters related to the system's components health solving a calibration problem in the deep learning approach.

Prognostics↗
DOE OSTI2025

Optimizing Facility Operations by Applying Machine Learning to the Army Reserve Enterprise Building Control System (Final Report)

Thousands of U.S. Department of Defense (DoD) buildings have building automation systems (BASs) and/or advanced meters. Although these systems have a wealth of data, performance optimization requires time and expertise to review and act on that information. Machine learning (ML) can provide automated and actionable insights to controls operators. This demonstration implemented proven ML methods on the Army Reserve Enterprise Building Control System. ML refers to algorithms that “learn” from data and improve their performance on a given task over time. In the buildings domain these tasks range from predicting future energy consumption, to identifying operational issues before faults occur, to optimizing control decisions. To learn, ML requires input data, which – for buildings – typically consists of instrument data such as energy consumption data and subsystem controls information such as set-point temperatures, and context data consisting of information such as the physical location of the building, the area of the building, and the weather. ML models use the relationships learned from the input data to make predictions with new, previously unseen, data. The team was able to investigate and successfully implement the following ML use cases: labeling consumption data as anomalous or non-anomalous; baseline whole-building load prediction (unknown fault status); fault detection (validation not possible); and site prioritization for energy-related projects. Due to the constraints of the project, interventions were not able to be implemented during the demonstration; therefore, assessments of operational cost savings and maintenance avoided could not be performed. The project has been presented at two leading national building conferences and two additional publications to peer-reviewed journals are currently in preparation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Learning to identify electrons

In this report we investigate whether state-of-the-art classification features commonly used to distinguish electrons from jet backgrounds in collider experiments are overlooking valuable information. A deep convolutional neural network analysis of electromagnetic and hadronic calorimeter deposits is compared to the performance of typical features, revealing a ≈ 5% gap which indicates that these lower-level data do contain untapped classification power. To reveal the nature of this unused information, we use a recently developed technique to map the deep network into a space of physically interpretable observables. We identify two simple calorimeter observables which are not typically used for electron identification, but which mimic the decisions of the convolutional network and nearly close the performance gap.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Identifying Entangled Physics Relationships Through Sparse Matrix Decomposition to Inform Plasma Fusion Design

We report a sustainable burn platform through inertial confinement fusion (ICF) has been an ongoing challenge for over 50 years. Mitigating engineering limitations and improving the current design involves an understanding of the complex coupling of physical processes. While sophisticated simulation codes are used to model ICF implosions, these tools contain necessary numerical approximation but miss physical processes that limit predictive capability. Identification of relationships between controllable design inputs to ICF experiments and measurable outcomes (e.g., neutron yield, neutron velocity, areal density) from performed experiments can help guide the future design of experiments and development of simulation codes, to potentially improve the accuracy of the computational models used to simulate ICF experiments. We use sparse matrix decomposition methods to identify clusters of a few related design variables. Sparse principal component analysis (SPCA) identifies groupings that are related to the physical origin of the variables (laser, hohlraum, and capsule). A variable importance analysis finds that in addition to variables highly correlated with neutron yield, such as picket power and laser energy, variables that represent a dramatic change of the ICF design, such as number of pulse steps, are also very important. The obtained sparse components are then used to train a random forest (RF) regression surrogate for predicting total yield. The RF performance on the training and testing data compares with the performance of the RF trained using all the design variables considered. This work is intended to inform design changes in future ICF experiments by augmenting the expert intuition and simulation results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Time-Resolved Line Shapes of Single Quantum Emitters via Machine Learned Photon Correlations

Solid-state single-photon emitters (SPEs) are quantum light sources that combine atomlike optical properties with solid-state integration and fabrication capabilities. SPEs are hindered by spectral diffusion, where the emitter’s surrounding environment induces random energy fluctuations. Timescales of spectral diffusion span nanoseconds to minutes and require probing single emitters to remove ensemble averaging. Photon correlation Fourier spectroscopy (PCFS) can be used to measure time-resolved single emitter line shapes, but is hindered by poor signal-to-noise ratio in the measured correlation functions at early times due to low photon counts. Here, we develop a framework to simulate PCFS correlation functions directly from diffusing spectra that match well with experimental data for single colloidal quantum dots. We use these simulated datasets to train a deep ensemble autoencoder machine learning model that outputs accurate, noiseless, and probabilistic reconstructions of the noisy correlations. Using this model, we obtain reconstructed time-resolved single dot emission line shapes at timescales as low as 10 ns, which are otherwise completely obscured by noise. This enables PCFS to extract optical coherence times on the same timescales as Hong-Ou-Mandel two-photon interference, but with the advantage of providing spectral information in addition to estimates of photon indistinguishability. Further, our machine learning approach is broadly applicable to different photon correlation spectroscopy techniques and SPE systems, offering an enhanced tool for probing single emitter line shapes on previously inaccessible timescales.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Comparison of tungsten versus molybdenum for double shell capsules using machine learning design optimization

Double shell targets are an alternative ignition platform for inertial confinement fusion. One design consideration for double shell targets is the choice of inner shell material to help trap radiation emitted by the hot fuel to aid ignition. Materials such as molybdenum and tungsten are of interest for the inner shell layer of the targets. While molybdenum has a lower density that could inhibit instability growth and allow for radiography and code benchmarking, tungsten has a higher density that could provide more compression and confinement. These tradeoffs have been explored using optimized designs for each material. Our previous work [Vazirani et al., “Coupling 1D xRAGE simulations with machine learning for graded inner shell design optimization in double shell capsules,” Phys. Plasmas 28, 122709 (2021); Vazirani et al., “Coupling multi-fidelity xRAGE with machine learning for graded inner shell design optimization in double shell capsules,” Phys. Plasmas 30, 062704 (2023); and Vazirani et al., “Bayesian batch optimization for molybdenum versus tungsten inertial confinement fusion double shell target design,” Stat. Anal. Data Min. 17, e11698 (2024)] resulted in a multi-fidelity Bayesian optimization framework to find yield-optimized double shell target geometries. By leveraging simulations of varying fidelities (one-dimensional and two-dimensional) to inform one another, the multi-fidelity optimization was able to optimize a design in the highest fidelity with significantly fewer simulations than would be used in a systematic parameter scan. In this work, we apply the multi-fidelity Bayesian optimization to explore the optimized designs of double shell targets with molybdenum and tungsten inner shells as well as the physics producing the high performing implosions. A physics exploration of all the simulations used in this study shows trends in designs that contribute to high yields, ion temperatures, and fuel areal densities. Comparison of molybdenum and tungsten simulations shows that they can produce similar implosion conditions with different geometries, which would be important to study in experiments. Graded density layers produce varying performances with the two materials but continue to be of interest for future studies along with studies of doped inner shell materials and applied surface roughness.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Charged particle reconstruction in CLAS12 using Machine Learning

In this work, we present studies of track parameter reconstruction from raw information in CLAS12 detector's Drift Chambers, using Machine Learning (ML). We study the resolution of tracks reconstructed with different types of ML models/algorithms, including Multi-Layer Perceptron (MLP), Extremely Randomized Trees (ERT) and Gradient Boosting Trees (GBT) using simulated data. We find that the resulting ML model is capable of reconstructing track parameters (particle momentum, and polar and azimuthal angles) with accuracy similar to Hit Based (HB) tracking code, but $150$ times faster. Moreover, physics reactions can be identified using the particles reconstructed by the neural network in real-time (with a rate of about $34~kHz$) during experimental data collection. The developed model can be used in numerous applications, such as triggering specific physics reactions in real-time, detector performance monitoring, and real-time detector calibration.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2022

Lunar Simulant Deposition Technique for Dust Tolerance Studies

A renewed interest in lunar exploration has spawned an array of development efforts for lunar surface assets. These systems depend on the reliable operation of mechanisms and components that may be susceptible to performance degradations or failure due to dust. The Uniform Dust Deposition System was developed at the NASA Glenn Research Center to provide repeatable, uniform, and automated deposition of simulants on surfaces of interest for dust mitigation testing. The system is capable of depositing simulants on test articles up to 60 cm in diameter and 15 cm high in a dry air environment with less than 1 percent relative humidity while keeping users safe from aerosolized dust. The automation of the system allows for high testing throughput while not sacrificing test quality and allows the user to reduce data in parallel. The additional development of a simulant preparation technique complements the repeatability of the deposition physics during testing. The system includes an imaging subsystem that leverages the power of machine learning to count simulant particles and measure their size, thereby allowing for accurate predictions of surface deposition densities (coefficient of determination R^(2) = 0.93) from images alone. The coverage of dust on a surface was shown to be uniform (coefficient of variation CV < 0.11), allowing developers to accurately evaluate the performance of their technology with a prescribed amount of lunar simulant, information that can be used to develop and refine models. The accuracy of the system is currently less than desired for a single deposition run, with a standard deviation (SD) ranging from 18 to 24 mg, or 0.839 to 1.184 mg/sq. cm , for a 5-cm-diameter area. However, the accuracy can be improved by performing multiple deposition runs to build dust to a desired level. Testing has shown that a SD of 0.2 to 0.6 mg, or 0.076 to 0.227 mg/sq. cm, can be achieved for a 5-cm-diameter area using this technique.

Stephen Gerdts↗
DOE OSTI2024

Jet classification using high-level features from anatomy of top jets

Recent advancements in deep learning models have significantly enhanced jet classification performance by analyzing low-level features (LLFs). However, this approach often leads to less interpretable models, emphasizing the need to understand the decision-making process and to identify the high-level features (HLFs) crucial for explaining jet classification. To address this, we consider the top jet tagging problems and introduce an analysis model (AM) that analyzes selected HLFs designed to capture important features of top jets. Our AM mainly consists of the following three modules: a relation network analyzing two-point energy correlations, mathematical morphology and Minkowski functionals for generalizing jet constituent multiplicities, and a recursive neural network analyzing subjet constituent multiplicity to enhance sensitivity to subjet color charges. We demonstrate that our AM achieves performance comparable to the Particle Transformer (ParT) while requiring fewer computational resources in a comparison of top jet tagging using jets simulated at the hadronic calorimeter angular resolution scale. Furthermore, as a more constrained architecture than ParT, the AM exhibits smaller training uncertainties because of the bias-variance tradeoff. We also compare the information content of AM and ParT by decorrelating the features already learned by AM. Lastly, we briefly comment on the results of AM with finer angular resolution inputs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Learning to simulate high energy particle collisions from unlabeled data

In many scientific fields which rely on statistical inference, simulations are often used to map from theoretical models to experimental data, allowing scientists to test model predictions against experimental results. Experimental data is often reconstructed from indirect measurements causing the aggregate transformation from theoretical models to experimental data to be poorly-described analytically. Instead, numerical simulations are used at great computational cost. We introduce Optimal-Transport-based Unfolding and Simulation (OTUS), a fast simulator based on unsupervised machine-learning that is capable of predicting experimental data from theoretical models. Without the aid of current simulation information, OTUS trains a probabilistic autoencoder to transform directly between theoretical models and experimental data. Identifying the probabilistic autoencoder’s latent space with the space of theoretical models causes the decoder network to become a fast, predictive simulator with the potential to replace current, computationally-costly simulators. Here, we provide proof-of-principle results on two particle physics examples, Z-boson and top-quark decays, but stress that OTUS can be widely applied to other fields.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Science & Technology Review (April/May 2023)

NASA’s Double Asteroid Redirection Test (DART), featured beginning on p.4, has been a testament to Lawrence Livermore’s multidisciplinary expertise. For DART, the Laboratory developed planetary defense strategies, modeled materials and impacts, and utilized advanced machine learning to create and evaluate multitudes of impact scenarios—informing prediction and analysis of the intercept of a small spacecraft with a much larger asteroid of unknown properties. The success of the project heralds a bright future for space science and security work at the Laboratory.

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

Variational autoencoders for at-source data reduction and anomaly detection in high energy particle detectors

Detectors in next-generation high-energy physics experiments face several daunting requirements, such as high data rates, damaging radiation exposure, and stringent constraints on power, space, and latency. To address these challenges, machine learning in readout electronics can be leveraged for smart detector designs, enabling intelligent inference and data reduction at-source. Variational autoencoders (VAEs) offer a variety of benefits for front-end readout; an on-sensor encoder can perform efficient lossy data compression while simultaneously providing a latent space representation that can be used for anomaly detection. Results are presented from low-latency and resource-efficient VAEs for front-end data processing in a futuristic silicon pixel detector. Encoder-based data compression is found to preserve good performance of off-detector analysis while significantly reducing the off-detector data rate as compared to a similarly sized data filtering approach. Furthermore, the latent space information is found to be a useful discriminator in the context of real-time sensor defect monitoring. Together, these results highlight the multifaceted utility of autoencoder-based front-end readout schemes and motivate their consideration in future detector designs.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Online Characterization of Mixed Plastic Waste Using Machine Learning and Mid-Infrared Spectroscopy

To recycle the mixed plastic wastes (MPW), it is important to obtain the compositional information online in real time. We present a sensing framework based on a convolutional neural network (CNN) and mid-infrared spectroscopy (MIR) for the rapid and accurate characterization of MPW. The MPW samples are placed on a moving platform to mimic the industrial environment. The MIR spectra are collected at the rate of 100 Hz, and the proposed CNN architecture can reach an overall prediction accuracy close to 100%. Therefore, the proposed method paves the way toward the online MPW characterization in industrial applications where high throughput is needed.

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

Learning and Predicting Photonic Responses of Plasmonic Nanoparticle Assemblies via Dual Variational Autoencoders

In this work, the application of machine learning is demonstrated for rapid and accurate extraction of plasmonic particles cluster geometries from hyperspectral image data via a dual variational autoencoder (dual-VAE). In this approach, the information is shared between the latent spaces of two VAEs acting on the particle shape data and spectral data, respectively, but enforcing a common encoding on the shape-spectra pairs. It is shown that this approach can establish the relationship between the geometric characteristics of nanoparticles and their far-field photonic responses, demonstrating that hyperspectral darkfield microscopy can be used to accurately predict the geometry (number of particles, arrangement) of a multiparticle assemblies below the diffraction limit in an automated fashion with high fidelity (for monomers (0.96), dimers (0.86), and trimers (0.58). This approach of building structure-property relationships via shared encoding is universal and should have applications to a broader range of materials science and physics problems in imaging of both molecular and nanomaterial systems.

variational autoencoder↗
DOE OSTI2023

A semi-agnostic ansatz with variable structure for variational quantum algorithms

Quantum machine learning—and specifically Variational Quantum Algorithms (VQAs)—offers a powerful, flexible paradigm for programming near-term quantum computers, with applications in chemistry, metrology, materials science, data science, and mathematics. Here, one trains an ansatz, in the form of a parameterized quantum circuit, to accomplish a task of interest. However, challenges have recently emerged suggesting that deep ansatzes are difficult to train, due to flat training landscapes caused by randomness or by hardware noise. This motivates our work, where we present a variable structure approach to build ansatzes for VQAs. Our approach, called VAns (Variable Ansatz), applies a set of rules to both grow and (crucially) remove quantum gates in an informed manner during the optimization. Consequently, VAns is ideally suited to mitigate trainability and noise-related issues by keeping the ansatz shallow. We employ VAns in the variational quantum eigensolver for condensed matter and quantum chemistry applications, in the quantum autoencoder for data compression and in unitary compilation problems showing successful results in all cases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Determination of Infinite Dilution Activity Coefficients of Molecular Solutes in Ionic Liquids and Deep Eutectic Solvents by Factorization-Machine-Based Neural Networks

Widely known as “green solvents,” ionic liquids (ILs) and deep eutectic solvents (DESs) have been used as substitutes for traditional organic solvents in separation science. To achieve better separations using ILs and DESs, this work aimed to predict the infinite dilution activity coefficients (IDACs) of molecular solutes in these solvents with the state-of-the-art factorization-machine-based neural network (DeepFM). DeepFM combines the benefits of factorization machines and deep neural networks to learn both low-order and high-order interactions among features. The IDAC prediction model was established with 52,372 experimental IDAC datapoints including 260 solvents (252 ILs and 8 DESs) and 112 molecular solutes collected at various temperatures from 288.15 to 428.15 K. Chemical information describing the ILs, DESs, and molecular solutes was included in the IDAC prediction model, including chemical functional groups, molecular weights, and Abraham solvation parameters. The IDAC prediction model showed an improved accuracy compared with alternative models; additionally, DESs were included in the IDAC prediction model for the first time. Here, the model will reduce the energy and resources needed to optimize the selection of ILs and DESs for specific separations, which will promote the development of these green solvents for sustainable chemical processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

The Electron-Ion Collider - A machine that will unlock the secrets of the strongest force in nature!

The computers and smartphones we use every day depend on what we learned about the atom in the last century. All information technology – and much of our economy today – relies on understanding the electromagnetic force between the atomic nucleus and the electrons that orbit it. The science of that force is well understood, but we still know little about the microcosm within the protons and neutrons that make up the atomic nucleus. That’s where Brookhaven National Laboratory (BNL) comes in. Brookhaven National Laboratory (located in Suffolk County, NY, about 60 miles east of midtown Manhattan) was recently chosen as the building site for an Electron-Ion Collider (EIC), a one-of-a-kind nuclear physics research facility. The EIC will be a discovery machine for unlocking the secrets of the “glue” that binds the building blocks of visible matter in the universe. The machine design will take advantage of the existing and highly optimized Relativistic Heavy Ion Collider (RHIC) that’s been operating at Brookhaven Lab since 2000. Beyond sparking scientific discoveries in a new frontier of fundamental physics, the Electron-Ion Collider will trigger technological breakthroughs that have broad-ranging impact on human health and national challenges.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Insights into distorted lamellar phases with small-angle scattering and machine learning

Lamellar phases are essential in various soft matter systems, with topological defects significantly influencing their mechanical properties. In this report, we present a machine-learning approach for quantitatively analyzing the structure and dynamics of distorted lamellar phases using scattering techniques. By leveraging the mathematical framework of Kolmogorov–Arnold networks, we demonstrate that the conformations of these distorted phases – expressed as superpositions of complex waves – can be reconstructed from small-angle scattering intensities. Through the contour analysis of wave field phase singularities, we obtain the statistics of the spatial distribution of topological defects. Furthermore, we establish that the temporal evolution of these defects can be derived from the time-dependent traveling wave field, informed by the dispersion relation of spectral components. This method opens new avenues for investigating the dynamics of distorted lamellar phases using various dynamic scattering techniques such as neutron spin echo and X-ray photon correlation spectroscopy. These findings enhance our microscopic understanding of how defects influence the physical properties of lamellar materials, with implications for both equilibrium and non-equilibrium states in general lamellar systems.

36 MATERIALS SCIENCE↗