Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Machine learning in physics”

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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

ML based control systems for nuclear physics experiments

The Experimental Physics Software and Computing Infrastructure (EPSCI) group at Jefferson Lab is leading the use of machine learning (ML) to enhance control systems in nuclear physics experiments. Collaborating closely with domain experts and data scientists, we have developed an ML-based control system that uses a Gaussian process to dynamically adjust the high voltage of the GlueX Central Drift Chamber. This results in stable detector performance by adapting to environmental changes, thereby reducing the offline calibration effort. Furthermore, we are developing ML-driven systems for optimizing the polarization of photon beams and polarized cryotargets. These systems will maintain the optimal microwave frequency in cryogenic targets and make real-time adjustments to diamond radiators for polarized photon sources, tasks traditionally handled by human operators. By automating these functions, we aim to optimize the polarization, reduce downtime, and minimize human error. This talk will highlight the development of reliable ML-based control systems and the policies to ensure they are both effective and trustworthy.

Jeske, Torri↗
DOE OSTI2021

The case for digital twins in metal additive manufacturing

The digital twin (DT) is a relatively new concept that is finding increased acceptance in industry. A DT is generally considered as comprising a physical entity, its virtual replica, and two-way digital data communications in-between. Its primary purpose is to leverage the process intelligence captured within digital models—or usually their faster-solving surrogates—towards generating increased value from the physical entities. The surrogate models are created using machine learning based on data obtained from the field, experiments and digital models, which may be physics-based or statistics-based. Anomaly detection and correction, and diagnostic closed-loop process control are examples of how a process DT can be deployed. In the manufacturing industry, its use can achieve improvements in product quality and process productivity. Metal additive manufacturing (AM) stands to gain tremendously from the use of DTs. This is because the AM process is inherently chaotic, resulting in poor repeatability. However, a DT acting in a supervisory role can inject certainty into the process by actively keeping it within bounds through real-time control commands. Closed-loop feedforward control is achieved by observing the process through sensors that monitor critical parameters and, if there are any deviations from their respective optimal ranges, suitable corrective actions are triggered. The type of corrective action (e.g. a change in laser power or a modification to the scanning speed) and its magnitude are determined by interrogating the surrogate models. Because of their artificial intelligence (AI)-endowed predictive capabilities, which allow them to foresee a future state of the physical twin (e.g. the AM process), DTs proactively take context-sensitive preventative steps, whereas traditional closed-loop feedback control is usually reactive. Apart from assisting a build process in real-time, a DT can help with planning the build of a part by pinpointing the optimum processing window relevant to the desired outcome. Again, the surrogate models are consulted to obtain the required information. In this article, we explain how the application of DTs to the metal AM process can significantly widen its application space by making the process more repeatable (through quality assurance) and cheaper (by getting builds right the first time).

36 MATERIALS SCIENCE↗
DOE OSTI2021

Machine learning in materials science: From explainable predictions to autonomous design

The advent of big data and algorithmic developments in the field of machine learning (and artificial intelligence, in general) have greatly impacted the entire spectrum of physical sciences, including materials science. Materials data, measured or computed, combined with various techniques of machine learning have been employed to address a myriad of challenging problems, such as, development of efficient and predictive surrogate models for a range of materials properties, screening and down-selection of novel candidate materials for targeted applications, new methodologies to improve and further expedite molecular and atomistic simulations, with likely many more important developments to come in the foreseeable future. While the applications thus far have provided a glimpse of the true potential data-enabled routes have to offer, it has also become clear that further progress in this direction hinges on our ability to understand, explain and rationalize findings of a machine learning model in light of the domain-knowledge. This focused review provides an overview of the main areas where machine learning has been widely and successfully used in materials science. Subsequently, a brief discussion of several techniques that have been helpful in extracting physically-meaningful insights, causal relationships and design-centric knowledge from materials data is provided. Finally, we identify some of the imminent opportunities and challenges that materials community faces in this exciting and rapidly growing field.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Anomaly detection in collider physics via factorized observables

To maximize the discovery potential of high-energy colliders, experimental searches should be sensitive to unforeseen new physics scenarios. This goal has motivated the use of machine learning for unsupervised anomaly detection. In this paper, we introduce a new anomaly detection strategy called : factorized observables for regressing conditional expectations. Our approach is based on the inductive bias of factorization, which is the idea that the physics governing different energy scales can be treated as approximately independent. Assuming factorization holds separately for signal and background processes, the appearance of nontrivial correlations between low- and high-energy observables is a robust indicator of new physics. Under the most restrictive form of factorization, a machine-learned model trained to identify such correlations will in fact converge to the optimal new physics classifier. We test on a benchmark anomaly detection task for the Large Hadron Collider involving collimated sprays of particles called jets. By teasing out correlations between the kinematics and substructure of jets, our method can reliably extract percent-level signal fractions. This strategy for uncovering new physics adds to the growing toolbox of anomaly detection methods for collider physics with a complementary set of assumptions. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2023

Demonstration of machine-learning-enhanced Bayesian quantum state estimation

Machine learning (ML) has found broad applicability in quantum information science in topics as diverse as experimental design, state classification, and even studies on quantum foundations. Here, we experimentally realize an approach for defining custom prior distributions that are automatically tuned using ML for Bayesian quantum state estimation methods that generally better conform to the physical properties of the underlying system than standard fixed prior distributions. Previously, researchers have looked to Bayesian quantum state tomography for advantages like uncertainty quantification, the return of reliable estimates under any measurement condition, and minimal mean-squared error. However, practical challenges related to long computation times and conceptual issues concerning how to incorporate prior knowledge most suitably can overshadow these benefits. Using both simulated and experimental measurement results, we demonstrate that ML-defined prior distributions reduce net convergence times and provide a natural way to incorporate both implicit and explicit information directly into the prior distribution. These results constitute a promising path toward practical implementations of Bayesian quantum state tomography.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

professor

Professor is a tool to help you study complicated physical phenomena by providing tools to 1) fit machine learning models to 2D image arrays from simulations and 2) interactively explore these machine learning models in real time. Professor is most useful when studying ensembles of simulations. A typically workflow would look like: 1. A user is interested in how parameters A, B, C, & D influence some complicated physics 2. User setups up parameterized simulations to study ABCD and the results of these simulations to be image arrays (a 2d matrix of float32 values) 3. User runs an ensemble of simulations studying ABCD creating a dataset of image arrays 4. User runs `prof-trainer` to fit a machine learning model to learn the mapping from [A,B,C,D] to the image arrays 5. User then uses `prov-vis` to interactively explore the machine learning model in real time, gaining their insight into how those parameters influence the physics 6. Go profess your idea about ABCD!

Collis, HenryH [Lawrence Livermore National Labora↗
DOE OSTI2022

Distilling physical origins of hardness in multi-principal element alloys directly from ensemble neural network models

Abstract Despite a plethora of data being generated on the mechanical behavior of multi-principal element alloys, a systematic assessment remains inaccessible via Edisonian approaches. We approach this challenge by considering the specific case of alloy hardness, and present a machine-learning framework that captures the essential physical features contributing to hardness and allows high-throughput exploration of multi-dimensional compositional space. The model, tested on diverse datasets, was used to explore and successfully predict hardness in Al x Ti y (CrFeNi) 1- x - y , Hf x Co y (CrFeNi) 1- x - y and Al x (TiZrHf) 1- x systems supported by data from density-functional theory predicted phase stability and ordering behavior. The experimental validation of hardness was done on TiZrHfAl x . The selected systems pose diverse challenges due to the presence of ordering and clustering pairs, as well as vacancy-stabilized novel structures. We also present a detailed model analysis that integrates local partial-dependencies with a compositional-stimulus and model-response study to derive material-specific insights from the decision-making process.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Operator learning for energy-efficient building ventilation control with computational fluid dynamics simulation of a real-world classroom

Energy-efficient ventilation control plays an important role in reducing building energy consumption while ensuring occupant health and comfort. While Computational Fluid Dynamics (CFD) simulations provide detailed and physically accurate representations of indoor airflow, their high computational cost limits their use in real-time building control. In this work, we present a neural operator learning framework that combines the physical accuracy of CFD with the computational efficiency of machine learning to enable building ventilation control with the high-fidelity fluid dynamics models. Our method jointly optimizes the airflow supply rates and vent angles to reduce energy use and adhere to air quality constraints. We train an ensemble of neural operator transformer models to learn the mapping from building control actions to airflow fields using high-resolution CFD data. This learned neural operator is then embedded in an optimization-based control framework for building ventilation control. Experimental results show that our approach achieves significant energy savings compared to maximum airflow rate control, rule-based control, as well as data-driven control methods using spatially averaged CO 2 prediction and deep learning–based reduced-order models, while consistently maintaining safe indoor air quality. These results highlight the practicality and scalability of our method in maintaining energy efficiency and indoor air quality in real-world buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Graph-based Compact Modeling (GCM) of CMOS transistors for efficient parameter extraction: A machine learning approach

Parameter extraction of compact transistor models is an expensive process, heavily relying on engineering knowledge and experience. To automate such a process, we propose a novel approach, Graph-based Compact Model (GCM), that integrates physical modeling and data-driven learning. GCM utilizes Graph Neural Networks (GNNs) to establish the model structure, while retaining the physicality in compact models. Here, we implement our GCM in Verilog-A to support circuit simulations. As demonstrated with an academic 7 nm FinFET PDK, the new approach automatically generates a GCM model within a minute, and achieves excellent accuracy and efficiency in SPICE.

42 ENGINEERING↗
DOE OSTI2024

Accuracy versus precision in boosted top tagging with the ATLAS detector

The identification of top quark decays where the top quark has a large momentum transverse to the beam axis, known as top tagging , is a crucial component in many measurements of Standard Model processes and searches for beyond the Standard Model physics at the Large Hadron Collider. Machine learning techniques have improved the performance of top tagging algorithms, but the size of the systematic uncertainties for all proposed algorithms has not been systematically studied. This paper presents the performance of several machine learning based top tagging algorithms on a dataset constructed from simulated proton-proton collision events measured with the ATLAS detector at $\sqrt{s}$ = 13 TeV. The systematic uncertainties associated with these algorithms are estimated through an approximate procedure that is not meant to be used in a physics analysis, but is appropriate for the level of precision required for this study. The most performant algorithms are found to have the largest uncertainties, motivating the development of methods to reduce these uncertainties without compromising performance. To enable such efforts in the wider scientific community, the datasets used in this paper are made publicly available.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Physics-Informed Neural Network (PINN) Prediction of Mixed Mass-Heat-Crystallization Limited Methane Hydrate Formation and Dissociation in Micro-Confinement

The creation and use of Physics-Informed Neural Networks (PINNs) for simulating the dynamics of methane hydrate formation and dissociation will be presented. The PINN framework's main benefit is its capacity to impose physical consistency with only a partial comprehension of the governing equations. This makes the algorithm especially useful for systems with little experimental evidence or a lack of theoretical knowledge. A strong basis for forecasting methane hydrate behavior over the verified operating ranges of 30.0-80.9 bar pressure and 1.0-4.0 K sub-cooling conditions is provided by the combination of conductive heat transfer equations and mixed mass-transfer–crystallization kinetics. PINNs were more accurate at predicting the mixed mass-heat-crystallization limited kinetics than conventional Artificial Neural Networks (ANNs), demonstrating remarkable predictive accuracy for methane hydrate production over the ANN model. The efficiency of incorporating physical limitations from first principles into machine learning frameworks for methane hydrate crystallizations is reinforced by these findings. For hydrate-related applications in energy generation, carbon sequestration, and climate modelling, our study establishes PINNs as a computational tool that is both scalable and efficient. The proven capacity to close the gap between conventional physics-based simulations and solely data-driven models creates new opportunities for expedited hydrate research and practical applications.

Hartman, Ryan L [NYU Tandon School of Engineering]↗
DOE OSTI2021

Analysis of Polarimetry Data with Angular Uncertainties

For a track based polarimeter, such as the Imaging X-ray Polarimetry Explorer (IXPE), the sensitivity to polarization depends on the modulation factor, which is a strong function of energy. In previous work, a likelihood method was developed that would account for this variation in order to estimate the minimum detectable polarization (MDP). That method essentially required that the position angles of individual events should be known precisely. In a separate work, however, it was shown that using a machine-learning method for measuring event tracks can generate track angle uncertainties, which can be used in the analysis. Here, the maximum likelihood method is used as a basis for revising the estimate of the MDP in a general way that can include uncertainties in event track position angles. The resultant MDP depends solely upon the distribution of track angle uncertainties present in the input data. Due to the physics of the IXPE detectors, it is possible to derive a simple relationship between these angular uncertainties and the energy-dependent modulation function as a step in the process.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

The influence of physical and algorithmic factors on simulated far-field waveforms and source–time functions of underground explosions using unsupervised machine learning

SUMMARY Characterizing explosion sources and differentiating between earthquake and underground explosions using distributed seismic networks becomes non-trivial when explosions are detonated in cavities or heterogeneous ground material. Moreover, there is little understanding of how changes in subsurface physical properties affect the far-field waveforms we record and use to infer information about the source. Simulations of underground explosions and the resultant ground motions can be a powerful tool to systematically explore how different subsurface properties affect far-field waveform features, but there are added variables that arise from how we choose to model the explosions that can confound interpretation. To assess how both subsurface properties and algorithmic choices affect the seismic wavefield and the estimated source functions, we ran a series of 2-D axisymmetric non-linear numerical explosion experiments and wave propagation simulations that explore a wide array of parameters. We then inverted the synthetic far-field waveform data using a linear inversion scheme to estimate source–time functions (STFs) for each simulation case. We applied principal component analysis (PCA), an unsupervised machine learning method, to both the far-field waveforms and STFs to identify the most important factors that control variance in the waveform data and differences between cases. For the far-field waveforms, the largest variance occurs in the shallower radial receiver channels in the 0–50 Hz frequency band. For the STFs, both peak amplitude and rise times across different frequencies contribute to the variance. We find that the ground equation of state (i.e. lithology and rheology) and the explosion emplacement conditions (i.e. tamped versus cavity) have the greatest effect on the variance of the far-field waveforms and STFs, with the ground yield strength and fracture pressure being secondary factors. Differences in the PCA results between the far-field waveforms and STFs could possibly be due to near-field non-linearities of the source that are not accounted for in the estimation of STFs and could be associated with yield strength, fracture pressure, cavity radius and cavity shape parameters. Other algorithmic parameters are found to be less important and cause less variance in both the far-field waveforms and STFs, meaning algorithmic choices in how we model explosions are less important, which is encouraging for the further use of explosion simulations to study how physical Earth properties affect seismic waveform features and estimated STFs.

58 GEOSCIENCES↗
DOE OSTI2022

Demonstration of Decentralized Physics-Driven Learning

In typical artificial neural networks, neurons adjust according to global calculations of a central processor, but in the brain, neurons and synapses self-adjust based on local information. Contrastive learning algorithms have recently been proposed to train physical systems, such as fluidic, mechanical, or electrical networks, to perform machine-learning tasks from local evolution rules. However, to date, such systems have only been implemented in silico due to the engineering challenge of creating elements that autonomously evolve based on their own response to two sets of global boundary conditions. Here, we introduce and implement a physics-driven contrastive learning scheme for a network of variable resistors, using circuitry to locally compare the response of two identical networks subjected to the two different sets of boundary conditions. Using this method, our system effectively trains itself, optimizing its resistance values without the use of a central processor or external information storage. Once the system is trained for a specified allostery, regression, or classification task, the task is subsequently performed rapidly and automatically by the physical imperative to minimize power dissipation in response to the given voltage inputs. Here, we demonstrate that, unlike typical computers, such learning systems are robust to extreme damage (and thus manufacturing defects) due to their decentralized learning. Our twin-network approach is therefore readily scalable to extremely large or nonlinear networks, where its distributed nature will be an enormous advantage; a laboratory network of only 500 edges will already outpace its in silico counterpart.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Model Driven Deception for Defense of Operational Technology Environments

Due to the strong integration of real-world physics, OT deception platforms must operate differently than traditional IT deceptions. For instance, turning off a valve will be detected downstream by other sensors because the flow will reduce and stop. Additionally, controllers and applications leverage data from sensors to send control commands to each other. A believable deception must be integrated with the system to project the effects of events. An attack will likely attempt to control the physical process in a negative manner. To make the attacker believe they are achieving their objective, it must predict the effects of these actions, to a reasonable degree. Our approach to simulating a model to generate realistic decoy behavior is explored including description of two approaches: a physics model-based approach and a data driven approach. The performance of two machine learning techniques are investigated in their ability to learn a good enough model of the physics of the system.

97 MATHEMATICS AND COMPUTING↗