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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Advanced data analysis in inertial confinement fusion and high energy density physics

Bayesian analysis enables flexible and rigorous definition of statistical model assumptions with well-characterized propagation of uncertainties and resulting inferences for single-shot, repeated, or even cross-platform data. This approach has a strong history of application to a variety of problems in physical sciences ranging from inference of particle mass from multi-source high-energy particle data to analysis of black-hole characteristics from gravitational wave observations. The recent adoption of Bayesian statistics for analysis and design of high-energy density physics (HEDP) and inertial confinement fusion (ICF) experiments has provided invaluable gains in expert understanding and experiment performance. In this Review, we discuss the basic theory and practical application of the Bayesian statistics framework. We highlight a variety of studies from the HEDP and ICF literature, demonstrating the power of this technique. Due to the computational complexity of multi-physics models needed to analyze HEDP and ICF experiments, Bayesian inference is often not computationally tractable. Two sections are devoted to a review of statistical approximations, efficient inference algorithms, and data-driven methods, such as deep-learning and dimensionality reduction, which play a significant role in enabling use of the Bayesian framework. We provide additional discussion of various applications of Bayesian and machine learning methods that appear to be sparse in the HEDP and ICF literature constituting possible next steps for the community. We conclude by highlighting community needs, the resolution of which will improve trust in data-driven methods that have proven critical for accelerating the design and discovery cycle in many application areas.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Multiscale Modeling Meets Machine Learning: What Can We Learn?

Machine learning is increasingly recognized as a promising technology in the biological, biomedical, and behavioral sciences. There can be no argument that this technique is incredibly successful in image recognition with immediate applications in diagnostics including electrophysiology, radiology, or pathology, where we have access to massive amounts of annotated data. However, machine learning often performs poorly in prognosis, especially when dealing with sparse data. This is a field where classical physics-based simulation seems to remain irreplaceable. In this review, we identify areas in the biomedical sciences where machine learning and multiscale modeling can mutually benefit from one another: Machine learning can integrate physics-based knowledge in the form of governing equations, boundary conditions, or constraints to manage ill-posted problems and robustly handle sparse and noisy data; multiscale modeling can integrate machine learn- ing to create surrogate models, identify system dynamics and parameters, analyze sensitivities, and quantify uncertainty to bridge the scales and understand the emergence of function. With a view towards applications in the life sciences, we discuss the state of the art of combining machine learning and multiscale modeling, identify applications and opportunities, raise open questions, and address potential challenges and limitations. We anticipate that it will stimulate discussion within the community of computational mechanics and reach out to other disciplines including mathematics, statistics, computer science, artificial intelligence, biomedicine, systems biology, and precision medicine to join forces towards creating robust and efficient models for biological systems.

machine learning, multiscale modeling, physics-bas↗
DOE OSTI2024

Weak-form latent space dynamics identification

Recent work in data-driven modeling has demonstrated that a weak formulation of model equations enhances the noise robustness of a wide range of computational methods. In this paper, we demonstrate the power of the weak form to enhance the LaSDI (Latent Space Dynamics Identification) algorithm, a recently developed data-driven reduced order modeling technique. We introduce a weak form-based version WLaSDI (Weak-form Latent Space Dynamics Identification). WLaSDI first compresses data, then projects onto the test functions and learns the local latent space models. Notably, WLaSDI demonstrates significantly enhanced robustness to noise. With WLaSDI, the local latent space is obtained using weak-form equation learning techniques. Compared to the standard sparse identification of nonlinear dynamics (SINDy) used in LaSDI, the variance reduction of the weak form guarantees a robust and precise latent space recovery, hence allowing for a fast, robust, and accurate simulation. We demonstrate the efficacy of WLaSDI vs. LaSDI on several common benchmark examples including viscid and inviscid Burgers', radial advection, and heat conduction. For instance, in the case of 1D inviscid Burgers' simulations with the addition of up to 100% Gaussian white noise, the relative error remains consistently below 6% for WLaSDI, while it can exceed 10,000% for LaSDI. Similarly, for radial advection simulations, the relative errors stay below 15% for WLaSDI, in stark contrast to the potential errors of up to 10,000% with LaSDI. Moreover, speedups of several orders of magnitude can be obtained with WLaSDI. For example applying WLaSDI to 1D Burgers' yields a 140X speedup compared to the corresponding full order model.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Sensor Reduction for Diversion Detection in a Realistic Heat Pipe Microreactor Using Supervised Machine Learning

Microreactors are designed as a smaller, cheaper, and safer alternative to traditional nuclear power plants. Their non-traditional characteristics and prospect of mass production and deployment will likely require new approaches to nuclear safeguards. The primary proliferation concern with microreactors is the diversion of fuel material. Such diversion may produce measurable defects in key physical attributes like neutron flux, which may in turn be detectable using machine learning models. Preliminary work has demonstrated this ability for modeled nominal and diversion scenarios using large quantities of energy integrated neutron flux data. In practice, the number of available sensors for such measurements will be limited and energy integrated flux information will not be available. This work explores the ability of tree-based gradient boosted ensemble models to classify a given microreactor core is nominal or diversion, and determine the number of fuel pins diverted in the case of diversion with reduced numbers of sensors and more realistic detector responses. Classification accuracy of greater than 98% and regression errors as low as 5% of the total number of fuel pins were achieved with as few as 15 sensors, compared to 99% and 4.1% with a maximum of 240 sensors.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Enhancing Neutrino Event Reconstruction with Pixel-Based 3D Readout for Liquid Argon Time Projection Chambers

In this paper we explore the potential improvements in neutrino event reconstruction that a 3D pixelated readout could offer over a 2D projective wire readout for liquid argon time projection chambers. We simulate and study events in two generic, idealized detector configurations for these two designs, classifying events in each sample with deep convolutional neural networks to compare the best 2D results to the best 3D results. In almost all cases we find that the 3D readout provides better reconstruction efficiency and purity than the 2D projective wire readout, with the advantages of 3D being particularly evident in more complex topologies, such as electron neutrino charged current events. We conclude that the use of a 3D pixelated detector could significantly enhance the reach and impact of future liquid argon TPC experiments physics program, such as DUNE.

Adams, C↗
DOE OSTI2021

Data-driven Distributed Learning of Multi-agent Systems: A Koopman Operator Approach

Koopman operator theory provides a model-free technique for studying nonlinear dynamical systems purely from data. Since the Koopman operator is infinite-dimensional, researchers have developed several methods that provide a finite-dimensional approximation of the Koopman operator so that it can be applied for practical use cases. One common thing with most of the methods is that their solutions are obtained by solving a centralized minimization problem. In this work, we treat the dynamical system to be a multi-agent system and propose an algorithm to compute the finite-dimensional approximation of the Koopman operator in a distributed manner using the knowledge of the topology of the underlying multi-agent system. The proposed distributed approach is shown to be equivalent to the centralized learning problem and results in a sparse Koopman whose block structure mimics the Laplacian of the multi-agent system. Extensive simulation studies illustrate the proposed framework on the network of oscillators and the IEEE 68 bus system.

Nandanoori, Sai Pushpak↗
DOE OSTI2024

Efficient mapping between void shapes and stress fields using Deep Convolutional Neural Networks with sparse data

Establishing fast and accurate structure-to-property relationships is an important component in the design and discovery of advanced materials. Physics-based simulation models like the finite element method (FEM) are often used to predict deformation, stress, and strain fields as a function of material microstructure in material and structural systems. Such models may be computationally expensive and time intensive if the underlying physics of the system is complex. This limits their application to solve inverse design problems and identify structures that maximize performance. In such scenarios, surrogate models are employed to make the forward mapping computationally efficient to evaluate. However, the high dimensionality of the input microstructure and the output field of interest often renders such surrogate models inefficient, especially when dealing with sparse data. Deep convolutional neural network (CNN) based surrogate models have shown great promise in handling such high-dimensional problems. In this paper, a single ellipsoidal void structure under a uniaxial tensile load represented by a linear elastic, high-dimensional and expensive-to-query, FEM model. We consider two deep CNN architectures, a modified convolutional autoencoder framework with a fully connected bottleneck and a UNet CNN, and compare their accuracy in predicting the von Mises stress field for any given input void shape in the FEM model. Additionally, a sensitivity analysis study is performed using the two approaches, where the variation in the prediction accuracy on unseen test data is studied through numerical experiments by varying the number of training samples from 20 to 100.

surrogate modeling; convolutional neural networks;↗
DOE OSTI2025

Intelligent Sampling of Extreme-Scale Turbulence Datasets for Accurate and Efficient Spatiotemporal Model Training

With the end of Moore’s law and Dennard scaling, efficient training increasingly requires rethinking data volume. Can we train better models with significantly less data via intelligent subsampling? To explore this, we develop SICKLE, a sparse intelligent curation framework for efficient learning, featuring a novel maximum entropy (MaxEnt) sampling approach, scalable training, and energy benchmarking. We compare MaxEnt with random and phase-space sampling on large direct numerical simulation (DNS) datasets of turbulence. Evaluating SICKLE at scale on Frontier, we show that subsampling as a preprocessing step can, in many cases, improve model accuracy and substantially lower energy consumption, with observed reductions of up to 38×.

Brewer, Wes [ORNL] (ORCID:0000000236393956)↗
DOE OSTI2024

Exploration with Scalable Gaussian Process Reinforcement Learning

Exploration is a challenging problem in reinforcement learning (RL), especially in environments with sparse rewards. Quantifying and utilizing the parametric uncertainty has been shown to be paramount for successful exploration [Osband et al., 2018]. Bayesian, or approximately Bayesian, methods present a principled means of estimating the parametric uncertainty in RL problems. Gaussian processes, nonparametric Bayesian models, are often impractical due to poor scalability and computational bottlenecks. We introduce a scalable Gaussian process RL (GPRL) method which directly induces sparsity in the covariance matrix to facilitate faster computation. This is a departure from previous GPRL methods which instead rely on data reduction and subsampling. We compare various covariance-based exploration techniques (Thompson sampling, upper confidence bound, and probabilistic maximum variance) which leverage our scalable GP framework in sparse reward environments. Finally, we show favorable comparison against the bootstrapped deep Q-Network.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Bridging multimodal microscopy for advanced characterization on nuclear fuel using machine learning

Uranium dioxide (UO 2 ), widely used as driver fuel in light water reactors, experiences microstructure and property change by nuclear fission reactions. This paper bridges the characterization of fresh UO 2 fuel at different length scales, serving as a baseline for future post irradiation examination of irradiated UO 2 fuel. To characterize the microstructural change of nuclear fuel, modern approaches cover a wide range of length scales through different characterization techniques, such as mm scale for Synchrotron-based X-ray computed tomography (SXCT) and microscale for focused ion beam (FIB) and scanning electron microscopy (SEM). It is challenging to bridge the data and knowledge of the same sample in different length scales. This paper proposed a deep learning framework leveraging transfer learning to detect microstructural defects, trained from a sparse FIB, SEM, and SXCT images. The proposed model achieved superior performance in defect segmentation on multiscale microscopic data compared to four of the latest deep learning models.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Improve Learning from Crowds via Generative Augmentation

Crowdsourcing provides an efficient label collection schema for supervised machine learning. However, to control annotation cost, each instance in the crowdsourced data is typically annotated by a small number of annotators. This creates a sparsity issue and limits the quality of machine learning models trained on such data. In this paper, we study how to handle sparsity in crowdsourced data using data augmentation. Specifically, we propose to directly learn a classifier by augmenting the raw sparse annotations. We implement two principles of high-quality augmentation using Generative Adversarial Networks: 1) the generated annotations should follow the distribution of authentic ones, which is measured by a discriminator; 2) the generated annotations should have high mutual information with the ground-truth labels, which is measured by an auxiliary network. Extensive experiments and comparisons against an array of state-of-the-art learning from crowds methods on three real-world datasets proved the effectiveness of our data augmentation framework. It shows the potential of our algorithm for low-budget crowdsourcing in general.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2021

Efficient Learning of Accurate Surrogates for Simulations of Complex Systems

Machine learning methods are increasingly deployed to construct surrogate models for complex physical systems at a reduced computational cost. However, the predictive capability of these surrogates degrades in the presence of noisy, sparse, or dynamic data. We introduce an online learning method empowered by optimizer-driven sampling that has two advantages over current approaches: it ensures that all local extrema (including endpoints) of the model response surface are included in the training data and it employs a continuous validation and update process in which surrogates undergo retraining when their performance falls below a validity threshold. We find, using benchmark functions, that optimizer-directed sampling generally outperforms traditional sampling methods in terms of accuracy around local extrema even when the scoring metric is biased towards assessing overall accuracy. Finally, the application to dense nuclear matter demonstrates that highly accurate surrogates for a nuclear equation of state model can be reliably auto-generated from expensive calculations using few model evaluations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Convolutional neural network based non-iterative reconstruction for accelerating neutron tomography *

Abstract Neutron computed tomography (NCT), a 3D non-destructive characterization technique, is carried out at nuclear reactor or spallation neutron source-based user facilities. Because neutrons are not severely attenuated by heavy elements and are sensitive to light elements like hydrogen, neutron radiography and computed tomography offer a complementary contrast to x-ray CT conducted at a synchrotron user facility. However, compared to synchrotron x-ray CT, the acquisition time for an NCT scan can be orders of magnitude higher due to lower source flux, low detector efficiency and the need to collect a large number of projection images for a high-quality reconstruction when using conventional algorithms. As a result of the long scan times for NCT, the number and type of experiments that can be conducted at a user facility is severely restricted. Recently, several deep convolutional neural network (DCNN) based algorithms have been introduced in the context of accelerating CT scans that can enable high quality reconstructions from sparse-view data. In this paper, we introduce DCNN algorithms to obtain high-quality reconstructions from sparse-view and low signal-to-noise ratio NCT data-sets thereby enabling accelerated scans. Our method is based on the supervised learning strategy of training a DCNN to map a low-quality reconstruction from sparse-view data to a higher quality reconstruction. Specifically, we evaluate the performance of two popular DCNN architectures—one based on using patches for training and the other on using the full images for training. We observe that both the DCNN architectures offer improvements in performance over classical multi-layer perceptron as well as conventional CT reconstruction algorithms. Our results illustrate that the DCNN can be a powerful tool to obtain high-quality NCT reconstructions from sparse-view data thereby enabling accelerated NCT scans for increasing user-facility throughput or enabling high-resolution time-resolved NCT scans.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Particle hit clustering and identification using point set transformers in liquid argon time projection chambers

Liquid argon time projection chambers are often used in neutrino physics and dark-matter searches because of their high spatial resolution. The images generated by these detectors are extremely sparse, as the energy values detected by most of the detector are equal to 0, meaning that despite their high resolution, most of the detector is unused in a particular interaction. Instead of representing all of the empty detections, the interaction is usually stored as a sparse matrix, a list of detection locations paired with their energy values. Traditional machine learning methods that have been applied to particle reconstruction such as convolutional neural networks (CNNs), however, cannot operate over data stored in this way and therefore must have the matrix fully instantiated as a dense matrix. Operating on dense matrices requires a lot of memory and computation time, in contrast to directly operating on the sparse matrix. We propose a machine learning model using a point set neural network that operates over a sparse matrix, greatly improving both processing speed and accuracy over methods that instantiate the dense matrix, as well as over other methods that operate over sparse matrices. Compared to competing state-of-the-art methods, our method improves classification performance by 14%, segmentation performance by more than 22%, while taking 80% less time and using 66% less memory. Compared to state-of-the-art CNN methods, our method improves classification performance by more than 86%, segmentation performance by more than 71%, while reducing runtime by 91% and reducing memory usage by 61%.

calibration and fitting methods↗
DOE OSTI2023

Artificial Intelligence Guided Studies of van der Waals Magnets

A materials informatics framework to explore a large number of candidate van der Waals (vdW) materials is developed. In particular, in this study a large space of monolayer transition metal halides is investigated by combining high-throughput density functional theory calculations and artificial intelligence (AI) to accelerate the discovery of stable materials and the prediction of their magnetic properties. Here, the formation energy is used as a proxy for chemical stability. Semi-supervised learning is harnessed to mitigate the challenges of sparsely labeled materials data in order to improve the performance of AI models. This approach creates avenues for the rapid discovery of chemically stable vdW magnets by leveraging the ability of AI to recognize patterns in data, to learn mathematical representations of materials from data and to predict materials properties. Using this approach, previously unexplored vdW magnetic materials with potential applications in data storage and spintronics are identified.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Sparse Convolutional Neural Networks for particle classification in ProtoDUNE-SP events

Deep Learning (DL) methods and Computer Vision are becoming important tools for event reconstruction in particle physics detectors. In this work, we report on the use of submanifold sparse convolutional neural networks (SparseNets) for the classification of track and shower hits from a DUNE prototype liquid-argon detector at CERN (ProtoDUNE-SP). By taking advantage of the three-dimensional nature of the problem we use a set of nine input features to classify sparse and locally dense hits associated to track or shower particles. The SparseNet has been trained on a test sample and shows promising results: efficiencies and purities greater than 90%. This has also been achieved with a considerable speedup and substantially less resource utilization with respect to other DL networks such as graph neural networks. This method offers great scalability advantages for future large neutrino detectors such as the planned DUNE experiment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Learning Optimal Multigrid Smoothers via Neural Networks

Multigrid methods are one of the most efficient techniques for solving large sparse linear systems arising from partial differential equations (PDEs) and graph Laplacians from machine learning applications. One of the key components of multigrid is smoothing, which aims at reducing high-frequency errors on each grid level. However, finding optimal smoothing algorithms is problem-dependent and can impose challenges for many problems. In this paper, we propose an efficient adaptive framework for learning optimized smoothers from operator stencils in the form of convolutional neural networks (CNNs). Here, the CNNs are trained on small-scale problems from a given type of PDEs based on a supervised loss function derived from multigrid convergence theories and can be applied to large-scale problems of the same class of PDEs. Numerical results on anisotropic rotated Laplacian problems and variable coefficient diffusion problems demonstrate improved convergence rates and solution time compared with classical hand-crafted relaxation methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

GEPA: Reflective Prompt Evolution Can Outperform Reinforcement Learning

Large language models (LLMs) are increasingly adapted to downstream tasks via reinforcement learning (RL) methods like Group Relative Policy Optimization (GRPO), which often require thousands of rollouts to learn new tasks. We argue that the interpretable nature of language often provides a much richer learning medium for LLMs, compared to policy gradients derived from sparse, scalar rewards. To test this, we introduce GEPA (Genetic-Pareto), a prompt optimizer that thoroughly incorporates natural language reflection to learn high-level rules from trial and error. Given any AI system containing one or more LLM prompts, GEPA samples trajectories (e.g., reasoning, tool calls, and tool outputs) and reflects on them in natural language to diagnose problems, propose and test prompt updates, and combine complementary lessons from the Pareto frontier of its own attempts. As a result of GEPA's design, it can often turn even just a few rollouts into a large quality gain. Across six tasks, GEPA outperforms GRPO by 6% on average and by up to 20%, while using up to 35x fewer rollouts. GEPA also outperforms the leading prompt optimizer, MIPROv2, by over 10% (e.g., +12% accuracy on AIME-2025), and demonstrates promising results as an inference-time search strategy for code optimization. We release our code at https://github.com/gepa-ai/gepa.

97 MATHEMATICS AND COMPUTING↗