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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,495 records · Page 83
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Example on how to (intelligently) augment the nuclear-data pipeline with machine learning [Slides]

The presentation discusses how machine learning has helped the Los Alamos National Laboratory (LANL) nuclear-data pipeline. It also discusses the strengths of machine learning as it finds trends in large amounts of data where human brains are overwhelmed and that this information may be crucial to improve our nuclear data. It does stress, however, that machine learning is no "silver bullet" and that it is critical to feed it expert knowledge and use physics intuition to interpret the results. The presentation discusses the need to develop infrastructure and tools to provide data in an easily readable and unambiguously interpretable format (e.g., EXFOR format), to develop experimental data and theory to solve physics questions, and that statisticians and nuclear-data experts must be brought together to correctly interpret the results. The presentation concludes by stating that machine learning is a great tool and that LANL needs to use the algorithms along with developing physics data, tools and infrastructure.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Frame invariant neural network closures for Kraichnan turbulence

Numerical simulations of geophysical and atmospheric flows have to rely on parameterizations of subgrid scale processes due to their limited spatial resolution. Despite substantial progress in developing parameterization (or closure) models for subgrid scale (SGS) processes using physical insights and mathematical approximations, they remain imperfect and can lead to inaccurate predictions. In recent years, machine learning has been successful in extracting complex patterns from high-resolution spatio-temporal data, leading to improved parameterization models, and ultimately better coarse grid prediction. However, the inability to satisfy known physics and poor generalization hinders the application of these models for real-world problems. In this work, we put forth a frame invariant closure approach to improve the accuracy and generalizability of deep learning-based subgrid scale closure models by embedding physical symmetries directly into the structure of the neural network. Specifically, we utilized specialized layers within the convolutional neural network in such a way that desired constraints are theoretically guaranteed without the need for any regularization terms. We demonstrate our framework for a two-dimensional decaying turbulence test case mostly characterized by the forward enstrophy cascade. We show that our frame invariant SGS model (i) accurately predicts the subgrid scale source term, (ii) respects the physical symmetries such as translation, Galilean, and rotation invariance, and (iii) is numerically stable when implemented in coarse-grid simulation with generalization to different initial conditions and Reynolds number. This work opens up a possibility of connecting physics-based theories and data-driven modeling paradigms, and thus represents a promising step towards the development of physically consistent data-driven turbulence closure models.

42 ENGINEERING↗
DOE OSTI2020

Delivering Contextual Knowledge and Critical Skills of Disruptive Technologies through Problem-Based Learning in Research Experiences for Undergraduates Setting

The recent development in transportation, such as energy-efficient and autonomous vehicles, defines a condition for the students in transportation engineering. Students in the field of transportation engineering should be ready upon their graduation with new knowledge and skills that are compatible with the need of the industry and sustainable engineering practices.During summers of 2018 and 2019, we developed and implemented an eight-week program to increase the knowledge and skills of students coming from multidisciplinary fields related to autonomous vehicles. Problem of “How much will platooning reduce fuel consumption and emissions per vehicle mile traveled?” was instrumentalized in subsequent activities to introduce the comprehensive knowledge structure of autonomous vehicles.The engineering concept of reducing the cost and sustainability was embedded in the leading research question that helped us to develop and implement activities on an overall knowledge structure in autonomous vehicles. The goal of using problem-based learning activities was not to encourage the students to focus on reaching the solution merely. We aimed to introduce the multidisciplinary knowledge and critical skills aspects of learning about disruptive technologies.In this paper, we will discuss how a multidisciplinary research approach was incorporated into a problem-based learning activity. The students were introduced the subjects related to math, physics, computer science, and biology as the integration of the knowledge structure of autonomous vehicles. We will also present the results on students’ use of critical skills such as machine learning and computer programming.

Comert, Gurcan↗
DOE OSTI2025

Emulation With Uncertainty Quantification of Regional Sea‐Level Change Caused by the Antarctic Ice Sheet

Abstract Projecting regional sea‐level change under various climate‐change scenarios typically involves running forward simulations of the Earth's gravitational, rotational and deformational (GRD) response to ice‐mass change, which requires substantial computational cost if applied to probabilistic frameworks requiring thousands to millions of samples. Here we build emulators of regional sea‐level change at 27 coastal locations, due to the GRD effects associated with future Antarctic Ice Sheet mass change over the 21st century. The emulators are evaluated against a numerical sea‐level model applied to an ensemble of ice‐sheet model simulations of the Antarctic Ice Sheet through 2100. We build a physics‐based emulator using a recent sensitivity kernel approach and compare it to machine learning based emulators (neural network and conditional variational autoencoder methods). In order to quantify uncertainty, we derive well‐calibrated prediction intervals for regional sea‐level change via split‐conformal inference and linear regression, and show that Monte Carlo dropout does not yield well‐calibrated uncertainties in this instance. We also demonstrate substantial gains in computational efficiency using both the physics‐based emulator and neural networks in comparison to the numerical model for the complete regional sea‐level solution. Overall, we find the physics‐based emulator modestly outperforms the machine learning emulators for this problem.

58 GEOSCIENCES↗
NASA NTRS1995

Data management, archiving, visualization and analysis of space physics data

A series of programs for the visualization and analysis of space physics data has been developed at UCLA. In the course of those developments, a number of lessons have been learned regarding data management and data archiving, as well as data analysis. The issues now facing those wishing to develop such software, as well as the lessons learned, are reviewed. Modern media have eased many of the earlier problems of the physical volume required to store data, the speed of access, and the permanence of the records. However, the ultimate longevity of these media is still a question of debate. Finally, while software development has become easier, cost is still a limiting factor in developing visualization and analysis software.

Russell, C. T.↗
DOE OSTI2022

A machine learning approach to predict thermal expansion of complex oxides

Although it is of scientific and practical importance, the state-of-the-art of predicting the thermal expansion of oxides over broad temperature and composition ranges by physics-based atomistic simulations is currently limited to qualitative agreements. We present an emerging machine learning (ML) approach to accurately predict the thermal expansion of cubic oxides with a dataset consisting of experimentally measured lattice parameters while using the metal cation polyhedron and temperature as descriptors. High-fidelity ML models that can accurately predict temperature- and composition-dependent lattice parameters of cubic oxides with isotropic thermal expansions have been successfully trained. The ML-predicted thermal expansions of oxides not included in the training dataset have shown good agreement with available experiments. The limitations of the current approach and challenges to go beyond cubic oxides with isotropic thermal expansion are also briefly discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Variable rate neural compression for sparse detector data

Particle colliders produce data at extraordinary rates, posing major challenges for transmission and storage. High-throughput compression algorithms are therefore essential. In the sPHENIX experiment taking data at the Relativistic Heavy Ion Collider, a time projection chamber records three-dimensional (3D) particle trajectories that are highly sparse, making conventional learning-free lossy compression ineffective. Convolutional neural networks have surpassed traditional methods in compression ratio and accuracy. However, they fail to exploit sparsity for efficiency. To address these gaps, we present BCAE-VS, a bicephalous convolutional autoencoder with variable compression ratio for sparse data, which adapts compression to input complexity through key-point identification and sparse convolution. BCAE-VS achieves higher accuracy and compression ratios than prior neural approaches while being orders of magnitude smaller. Moreover, its throughput increases with sparsity—a property not observed in other methods. Although it was developed for collider experiments, BCAE-VS readily extends to other sparse data domains, such as light detection and ranging (LiDAR) sensing and 3D microscopy.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Quantized Information in Spectral Cyberspace

The constant-Q Gabor atom is developed for spectral power, information, and uncertainty quantification from time–frequency representations. Stable multiresolution spectral entropy algorithms are constructed with continuous wavelet and Stockwell transforms. The recommended processing and scaling method will depend on the signature of interest, the desired information, and the acceptable levels of uncertainty of signal and noise features. Selected Lamb wave signatures and information spectra from the 2022 Tonga eruption are presented as representative case studies. Resilient transformations from physical to information metrics are provided for sensor-agnostic signal processing, pattern recognition, and machine learning applications.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Benchmarking a Tunable Quantum Neural Network on Trapped-Ion and Superconducting Hardware

We implement a quantum generalization of a neural network on trapped-ion and IBM superconducting quantum computers to classify MNIST images, a common benchmark in computer vision. The network feedforward involves qubit rotations whose angles depend on the results of measurements in the previous layer. The network is trained via simulation, but inference is performed experimentally on quantum hardware. The classical-to-quantum correspondence is controlled by an interpolation parameter, $a$, which is zero in the classical limit. Increasing $a$ introduces quantum uncertainty into the measurements, which is shown to improve network performance at moderate values of the interpolation parameter. We then focus on particular images that fail to be classified by a classical neural network but are detected correctly in the quantum network. For such borderline cases, we observe strong deviations from the simulated behavior. We attribute this to physical noise, which causes the output to fluctuate between nearby minima of the classification energy landscape. Such strong sensitivity to physical noise is absent for clear images. We further benchmark physical noise by inserting additional single-qubit and two-qubit gate pairs into the neural network circuits. Our work provides a springboard toward more complex quantum neural networks on current devices: while the approach is rooted in standard classical machine learning, scaling up such networks may prove classically non-simulable and could offer a route to near-term quantum advantage.

FOS: Physical sciences↗
DOE OSTI2022

Detecting new physics as novelty — Complementarity matters

Novelty detection is a task of machine learning that aims at detecting novel events without a prior knowledge. In particular, its techniques can be applied to detect unexpected signals from new phenomena at colliders. In this paper, we develop an analysis scheme that exploits the complementarity, originally studied in ref. [1], between isolation-based and clustering-based novelty evaluators. This approach can significantly improve the performance and overall applicability of novelty detection at colliders, which we demonstrate using a variety of two dimensional Gaussian samples mimicking collider events. As a further proof of principle, we subsequently apply this scheme to the detection of two significantly different signals at the LHC featuring a $t\bar{t}γγ$ final state: $t\bar{t}h$, giving a narrow resonance in the diphoton mass spectrum, and gravity-mediated supersymmetry, resulting in broad distributions at high transverse momentum. Compared to existing dedicated searches at the LHC, the sensitivities for detecting both signals are found to be encouraging.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Explicit physics-informed neural networks for nonlinear closure: The case of transport in tissues

In upscaling methods, closures for nonlinear problems present a well-known challenge. While a number of theoretical methods have been proposed for handling such closures, nonlinearities still remain a significant obstacle for many problems. In this work, we use a combination of formal upscaling and data-driven machine learning for explicitly closing a nonlinear transport and reaction process in multiscale tissues. The classical effectiveness factor model is used to formulate the macroscale reaction kinetics. We train a multilayer perceptron network using training data generated by direct numerical simulations over microscale examples. Once trained, the network is used in an algorithm for numerically solving the upscaled (coarse-grained) differential equation describing mass transport and reaction in two example tissues. The network is described as being explicit in the sense that the network is trained using macroscale concentrations and gradients of concentration as components of the feature space rather than incorporating them as part of a constraint in the optimization process. Network training and solutions to the macroscale transport equations were computed for two different tissues. The two tissue types (brain and liver) exhibit markedly different geometrical complexity and spatial scale (cell size and sample size). The upscaled solutions for the average concentration are compared with numerical solutions derived from the microscale concentration fields by a posteriori averaging. There are three outcomes of this work of particular note. 1) Our overall approach results in an upscaled nonlinear PDE. The PDE is closed using a neural network, and our approach results in the definition of the classical effectiveness factor for effecting closure. 2) We identify particular source terms for the closure problem that are important for representing the structure of the closure. These source terms involve macroscale concentrations and their gradients. We adopt these source terms to use as explicit features in the learning algorithm. We find the trained networks that include the macroscale source terms generate models that are able to predict the correction factor with increased fidelity over those that do not. 3) We find that the trained network exhibits good generalizability, and it is able to predict the effectiveness factor with high fidelity for realistically-structured tissues despite the significantly different scale and geometrical complexity of the two example tissue types. This latter result emphasizes our purposeful connection between conventional averaging methods with the use of machine learning for closure; this contrasts with some machine learning methods for upscaling where the exact form of the macroscale equation remains unknown.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Explainable and Differentiable Reinforcement Learning for Multi-objective Optimization in Particle Accelerators

Operating particle accelerators involves optimizing multiple goals simultaneously, which can be challenging due to trade-offs among objectives. While evolutionary algorithms like the genetic algorithm (GA) have been used for various Multi-Objective Optimization (MOO) tasks, they are not inherently suited for complex control problems. This talk highlights two variations of Reinforcement Learning (RL) for concurrently optimizing heat load and trip rates at the Continuous Electron Beam Accelerator Facility (CEBAF). The problem involves strict constraints on individual states, actions, and overall energy requirements of the beam. First, this talk highlights how differentiability can be harnessed through a Deep Differentiable Reinforcement Learning (DDRL) approach to address MOO issues within particle accelerators. We examine the DDRL method alongside Model Free Reinforcement Learning (MFRL), GA, and Bayesian Optimization (BO). The performance of these methods is assessed by generating a Pareto-front for two objectives. Our findings indicate that DDRL excels in handling high-dimensional problems more effectively than MFRL, BO, and GA. Next, we will show integration of explainable physics-based constraints into RL algorithms to enhance trans- parency and trust in decision-making processes by enabling users to verify that agents adhere to established physical principles. This surrogate function can be modeled using neural networks or sparse dictionary mod- els. By examining the mathematical form of the learned constraint function, we are able to confirm the agent has learned to use the established physics of each environment provided but the surrogate model. In addi- tion, we find that the introduction of a mathematical functional dictionary based surrogate model enables our reinforcement learning algorithms to reliably converge for difficult high-dimensional accelerator controls environments.

Rajput, Kishansingh [Thomas Jefferson National Acc↗
DOE OSTI2021

Anthropogenic influence on extreme precipitation over global land areas seen in multiple observational datasets

The intensification of extreme precipitation under anthropogenic forcing is robustly projected by global climate models, but highly challenging to detect in the observational record. Large internal variability distorts this anthropogenic signal. Models produce diverse magnitudes of precipitation response to anthropogenic forcing, largely due to differing schemes for parameterizing subgrid-scale processes. Meanwhile, multiple global observational datasets of daily precipitation exist, developed using varying techniques and inhomogeneously sampled data in space and time. Previous attempts to detect human influence on extreme precipitation have not incorporated model uncertainty, and have been limited to specific regions and observational datasets. Using machine learning methods that can account for these uncertainties and capable of identifying the time evolution of the spatial patterns, we find a physically interpretable anthropogenic signal that is detectable in all global observational datasets. Machine learning efficiently generates multiple lines of evidence supporting detection of an anthropogenic signal in global extreme precipitation.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRSDate not supplied

Development of Solar Flare and Energetic Particle Prediction Portal (SEP 3 )

Solar activity is a primary factor determining the state of the Earth’s space environment, geomagnetic and ionospheric disturbances, and radiation hazards. In the current state of knowledge, machine learning (ML) methods provide essential tools for processing data, investigating relationships among various physical properties and characteristics, uncovering hidden connections, and predicting hazardous solar events. The primary difficulty in developing and applying modern machine-learning tools in heliophysics is that the essential data are scattered among over a hundred data repositories developed by instrument teams of space missions and ground-based observatories. In addition, statistical and ML methods require long time series of homogeneous measurements. To facilitate ML-ready data preparation and access, we have developed an interactive database of solar flares integrating the most essential datasets (https://solarflare.njit.edu/). The database performs an initial data processing and is automatically updated. In addition, we are developing the Solar Energetic Particle Prediction Portal (SEP3, https://sun.njit.edu/SEP3), which hosts web applications that allow users to retrieve the database records. The Portal has a search page for browsing the events from the most widely used catalogs and a dedicated space to share the most recent achievements of the team. The interactive widget can display soft X-ray and proton flux time series from GOES satellites and the flare records. The data portal has been used to evaluate the forecasts of solar proton events and investigate machine-learning approaches to SEP prediction.

SMD↗
NASA NTRS2009

Comparison of GOES Cloud Classification Algorithms Employing Explicit and Implicit Physics

Cloud-type classification based on multispectral satellite imagery data has been widely researched and demonstrated to be useful for distinguishing a variety of classes using a wide range of methods. The research described here is a comparison of the classifier output from two very different algorithms applied to Geostationary Operational Environmental Satellite (GOES) data over the course of one year. The first algorithm employs spectral channel thresholding and additional physically based tests. The second algorithm was developed through a supervised learning method with characteristic features of expertly labeled image samples used as training data for a 1-nearest-neighbor classification. The latter's ability to identify classes is also based in physics, but those relationships are embedded implicitly within the algorithm. A pixel-to-pixel comparison analysis was done for hourly daytime scenes within a region in the northeastern Pacific Ocean. Considerable agreement was found in this analysis, with many of the mismatches or disagreements providing insight to the strengths and limitations of each classifier. Depending upon user needs, a rule-based or other postprocessing system that combines the output from the two algorithms could provide the most reliable cloud-type classification.

EXPLICIT PHYSICS ALGORITHMS↗
DOE OSTI2023

Searches for New Physics in Neutrino Oscillations at the MINOS+, NOvA, and DUNE Experiments

Neutrinos are some of the most mysterious fundamental particles in Standard Model: they are orders of magnitude lighter than the next lightest massive particle (the electron), and they rarely interact with other particles. In the last 20 years, we have firmly established that neutrinos change flavors as they travel by observing the disappearance of muon neutrinos produced by accelerators and interactions of cosmic rays with the atmosphere; the appearance of electron neutrinos in muon neutrino beams; and the disappearance of electron antineutrinos produced by nuclear reactors. Almost all experiments are consistent with the existence of only three neutrino flavor states which mix with three neutrino mass states. However, there are a few experiments which have seen evidence for oscillations at frequencies incompatible with the three known states, which would suggest the existence of a fourth state, the sterile neutrino. This project supported searches for physics beyond the Standard Model, especially sterile neutrinos, in neutrino oscillations at the MINOS/MINOS+ and NOvA experiments. These efforts were enabled through the use of Deep Learning approaches which have revolutionized selection and reconstruction methods in High Energy Physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Simultaneous CTEQ-TEA extraction of PDFs and SMEFT parameters from jet and $t\bar{t}$ data

Recasting phenomenological Lagrangians in terms of SM effective field theory (SMEFT) provides a valuable means of connecting potential BSM physics at momenta well above the electroweak scale to experimental signatures at lower energies. In this work we jointly fit the Wilson coefficients of SMEFT operators as well as the PDFs in an extension of the CT18 global analysis framework, obtaining self-consistent constraints to possible BSM physics effects. Global fits are boosted with machine-learning techniques in the form of neural networks to ensure efficient scans of the full PDF+SMEFT parameter space. We focus on several operators relevant for top-quark pair and jet production at hadron colliders and obtain constraints on the Wilson coefficients with Lagrange Multiplier scans. We find mild correlations between the extracted Wilson coefficients, PDFs, and other QCD parameters, and see indications that these correlations may become more prominent in future analyses based on data of higher precision. This work serves as a new platform for joint analyses of SM and BSM physics based on the CTEQ-TEA framework.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Learning interpretable surface elasticity properties from bulk properties via neural network equation learners

Surface elasticity is central to understanding the mechanics and stability of surfaces and interfaces. It is characterized by quantities such as surface tension, residual surface stress, and surface stiffness. However their analytical expressions are typically difficult to derive from atomistic data, and depend strongly on modeling choices. This work presents a neural network-based equation learner which combines customized activation functions and connection-based pruning to discover parsimonious, closed-form equations for surface elasticity from atomistic simulations. Applying the method to seven face-centered cubic (FCC) metals, our equation learner uncovers interpretable equations that describe both low-Miller index and high-Miller index surface properties, capturing long-tail property distributions accurately. The discovered expressions are decoupled into two components: a universal, geometry-driven orientation function, and material-specific baseline coefficients. We find that lower-order properties such as surface tension are fundamentally geometry dependent, while higher-order properties such as surface stress and elasticity show more complex geometry and material dependence. We also relate material dependent coefficients to bulk properties, forming a clear map from bulk material properties to surface elasticity. Overall, this approach demonstrates that interpretable neurosymbolic machine learning can bridge the gap between atomistic simulations and physical laws, enabling the discovery of generalizable structure–property relationships for materials science phenomena such as surface elasticity.

Equation learning↗