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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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83 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

𝑁-dimensional maximum-entropy tomography via particle sampling

We propose a modified maximum-entropy (MENT) algorithm for six-dimensional phase space tomography. The algorithm uses particle sampling and low-dimensional density estimation to approximate large sets of high-dimensional integrals in the original MENT formulation. We implement this approach using Markov Chain Monte Carlo (MCMC) sampling techniques and demonstrate convergence of six-dimensional MENT on both synthetic and measured data.

Hoover, Austin [Oak Ridge National Laboratory (ORN↗
DOE OSTI2026

VoroClust: Scalable Clustering for Remote Sensing

Although supervised machine learning provides a powerful framework for image classification and segmentation, it requires comprehensive consistent datasets, which are not available for many remote-sensing applications. Remote-sensing datasets are expensive to collect, and each is acquired under different environmental conditions or with significant variations in system operating parameters. Unsupervised clustering algorithms analyze the structure of each dataset independently, rather than drawing on similarities with existing “training” examples, and are thus well suited for practical remote-sensing applications. We introduce VoroClust, a fast density-based unsupervised clustering algorithm applicable to high-resolution and high-dimensional data. VoroClust runs as fast as distance-based clustering methods, while capturing complex regional geometries at least as well as current-density-based methods. It uses a data-centered sphere cover to reduce computational demands, while still capturing data topology. It then propagates clusters outward from local peaks in density. We show that VoroClust provides fast state-of-the-art clustering for both high-resolution polarimetric synthetic aperture radar and high-dimensional hyperspectral imaging datasets.

42 ENGINEERING↗
DOE OSTI2025

Safe and Robust Binary Classification and Fault Detection Using Reinforcement Learning

In this paper, we propose a learning-based method utilizing the Soft Actor-Critic (SAC) algorithm to train a binary Support Vector Machine (SVM) classifier. This classifier is designed to identify valid input spaces in high-dimensional, highly constrained systems while minimizing the total runtime of offline simulations. The simulations adapt their runtime based on the likelihood that a given training input will be informative to the classifier. Furthermore, we introduce a method for using the trained SAC model to predict whether a desired system input is likely to violate constraints, along with a technique to adjust the input as necessary. Additionally, we explore the potential of this model to detect faults or adversarial attacks within the system. The effectiveness of our approach is demonstrated through various simulations of challenging classification problems and a constrained quadrotor model.

Netter, Josh [Georgia Institute of Technology, Atl↗
DOE OSTI2023

Learning Canonical Embeddings for Unsupervised Shape Correspondence With Locally Linear Transformations

We present a new approach to unsupervised shape correspondence learning between pairs of point clouds. We make the first attempt to adapt the classical locally linear embedding algorithm (LLE)-originally designed for nonlinear dimensionality reduction-for shape correspondence. The key idea is to find dense correspondences between shapes by first obtaining high-dimensional neighborhood-preserving embeddings of low-dimensional point clouds and subsequently aligning the source and target embeddings using locally linear transformations. We demonstrate that learning the embedding using a new LLE-inspired point cloud reconstruction objective results in accurate shape correspondences. More specifically, the approach comprises an end-to-end learnable framework of extracting high-dimensional neighborhood-preserving embeddings, estimating locally linear transformations in the embedding space, and reconstructing shapes via divergence measure-based alignment of probability density functions built over reconstructed and target shapes. Our approach enforces embeddings of shapes in correspondence to lie in the same universal/canonical embedding space, which eventually helps regularize the learning process and leads to a simple nearest neighbors approach between shape embeddings for finding reliable correspondences. Comprehensive experiments show that the new method makes noticeable improvements over state-of-the-art approaches on standard shape correspondence benchmark datasets covering both human and nonhuman shapes.

deformation↗
DOE OSTI2025

Bias-Variance Trade-Off in Physics-Informed Neural Networks with Randomized Smoothing for High-Dimensional PDEs

Physics-Informed Neural Networks (PINNs) have triggered a paradigm shift in scientific computing, leveraging mesh-free properties and robust approximation capabilities. While proving effective for low-dimensional partial differential equations (PDEs), the computational cost of PINNs remains a hurdle in high-dimensional scenarios. This is particularly pronounced when computing high-order and high-dimensional derivatives in the physics-informed loss. Randomized Smoothing PINN (RS-PINN) introduces Gaussian noise for stochastic smoothing of the original neural net model, enabling the use of Monte Carlo methods for derivative approximation, which eliminates the need for costly automatic differentiation. Despite its computational efficiency, especially in the approximation of high-dimensional derivatives, RS-PINN introduces biases in both loss and gradients, negatively impacting convergence, especially when coupled with stochastic gradient descent (SGD) algorithms. We present a comprehensive analysis of biases in RS-PINN, attributing them to the nonlinearity of the Mean Squared Error (MSE) loss as well as the intrinsic nonlinearity of the PDE itself. We propose tailored bias correction techniques, delineating their application based on the order of PDE nonlinearity. The derivation of an unbiased RS-PINN allows for a detailed examination of its advantages and disadvantages compared to the biased version. Specifically, the biased version has a lower variance and runs faster than the unbiased version, but it is less accurate due to the bias. To optimize the bias-variance trade-off, we combine the two approaches in a hybrid method that balances the rapid convergence of the biased version with the high accuracy of the unbiased version. In addition to methodological contributions, we present an enhanced implementation of RS-PINN. Extensive experiments on diverse high-dimensional PDEs, including Fokker-Planck, Hamilton-Jacobi-Bellman (HJB), viscous Burgers’, Allen-Cahn, and Sine-Gordon equations, illustrate the bias-variance trade-off and highlight the effectiveness of the hybrid RS-PINN. Empirical guidelines are provided for selecting biased, unbiased, or hybrid versions, depending on the dimensionality and nonlinearity of the specific PDE problem.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Real-Time Health Monitoring for Gas Turbine Components Using Online Learning and High-Dimensional Data

Capital-intensive turbomachinery, such as gas turbines and combined cycle plants, are constantly being monitored for performance anomalies, faults, and physical degradation. Although these power-generating assets are equipped with hundreds of sensors, existing monitoring tools can only handle moderate-sized data. As a result, only a handful of aggregate metrics are used to monitor machine health. At the same time, developing advanced tools suitable for large datasets have been restricted by the lack of appropriate data. The objective of this proposal was to demonstrate a Big Data analytics framework for fault detection and diagnosis in gas turbine applications. We develop a predictive analytics framework methodology guided by these experimental data, industrial data from our collaborators, and physics-based models with engineering domain knowledge. Our analytics framework consists of four key components (1) a data curation process that addresses data storage, data quality assessments, and integrity checks, (2) a feature engineering component that utilizes statistical methods and transformation algorithms guided by physics-based models to extract high-fidelity fault features that can be leveraged for fault detection and classifying fault severities, (3) a Machine Learning-based fault detection and diagnostics algorithms for detecting operational and hardware faults in the combustion and the turbines section. We utilize two industry-class gas turbine component test rigs to generate first of its kind data for critical gas turbine faults with varying severity levels. Advanced gas turbine test facilities will be interrogated using state-of-the-art instrumentation techniques to build fault signatures and data trends for key combustor and turbine faults. Data generated from a combustor test rig (Georgia Tech) and a turbine test rig (Penn State) during both normal operation and with seeded faults serve as the basis for the Big Data sets. The test conditions in the two test facilities include common, critical events that occur in the operation. Utilizing the combustor test rig, we examine two common combustor faults: lean blowout and centerbody degradation. For the turbine section we develop analytic models for monitoring cooling faults in the gas turbine

03 NATURAL GAS↗
DOE OSTI2025

LDRD Abbreviated report: High-Order General-Discrete-Ordinates Method Enabling Efficient Deterministic Transport in Hydrodynamic Simulations

Deterministic transport simulations for national-security and energy applications often operate in high-dimensional phase-space, where accuracy and cost both become major challenges. A common numerical artifact in such problems is the “ray-effect,” which appears as unphysical streaks. Beyond misinterpretation, these artifacts can contaminate tightly coupled physics, such as fluid dynamics, radiation-hydrodynamics, and laser-plasma interactions, eroding the predictive capability of entire multiphysics workflows. Our objective was to make high-dimension studies practical on modern hardware while mitigating the ray-effect without relying on prohibitively expensive sampling approaches such as Monte Carlo methods. We developed the Generic Discretization Library (GenDiL), a Graphics Processing Unit (GPU)-first framework that uses high-order Discontinuous Galerkin (DG) methods and matrix-free algorithms to reduce memory usage and improve computational efficiency, critical for phase-space simulations. GenDiL supports phase-space adaptivity in both mesh size and polynomial order (hp-adaptivity) to place resolution only where it is needed. A central capability is Local Dimensional Refinement (LDR), which couples lower-dimension continuum models to higher-dimension kinetic models through stable and conservative interfaces, so that high-fidelity physics is applied only in regions where it is essential. Building on the GenDiL framework, we developed the General SN (GSN) family of algorithms as a true generalization of the polar SN approach (discrete ordinates, often denoted SN). Rather than tying discrete ordinates to a specific polar change of coordinates, GSN formulates transport on an arbitrary change of coordinates chosen to reduce ray-effect. We studied two complementary variants: an analytic variant, where the coordinate map is prescribed in advance by a closed-form function; and a data-driven variant, where a quantity of interest, such as the net flux, guides the coordinate system. GenDiL provides the library infrastructure for efficient GPU execution, but the GSN concept is algorithmic and independent of any one library. Across representative high-dimension tests, including non-symmetric solutions, both variants delivered strong ray-effect mitigation at practical cost, moving four- to six-dimensional analysis toward repeatable, routine studies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Scalable deep learning for watershed model calibration

Watershed models such as the Soil and Water Assessment Tool (SWAT) consist of high-dimensional physical and empirical parameters. These parameters often need to be estimated/calibrated through inverse modeling to produce reliable predictions on hydrological fluxes and states. Existing parameter estimation methods can be time consuming, inefficient, and computationally expensive for high-dimensional problems. In this paper, we present an accurate and robust method to calibrate the SWAT model (i.e., 20 parameters) using scalable deep learning (DL). We developed inverse models based on convolutional neural networks (CNN) to assimilate observed streamflow data and estimate the SWAT model parameters. Scalable hyperparameter tuning is performed using high-performance computing resources to identify the top 50 optimal neural network architectures. We used ensemble SWAT simulations to train, validate, and test the CNN models. We estimated the parameters of the SWAT model using observed streamflow data and assessed the impact of measurement errors on SWAT model calibration. We tested and validated the proposed scalable DL methodology on the American River Watershed, located in the Pacific Northwest-based Yakima River basin. Our results show that the CNN-based calibration is better than two popular parameter estimation methods (i.e., the generalized likelihood uncertainty estimation [GLUE] and the dynamically dimensioned search [DDS], which is a global optimization algorithm). For the set of parameters that are sensitive to the observations, our proposed method yields narrower ranges than the GLUE method but broader ranges than values produced using the DDS method within the sampling range even under high relative observational errors. The SWAT model calibration performance using the CNNs, GLUE, and DDS methods are compared using R 2 and a set of efficiency metrics, including Nash-Sutcliffe, logarithmic Nash-Sutcliffe, Kling-Gupta, modified Kling-Gupta, and non-parametric Kling-Gupta scores, computed on the observed and simulated watershed responses. The best CNN-based calibrated set has scores of 0.71, 0.75, 0.85, 0.85, 0.86, and 0.91. The best DDS-based calibrated set has scores of 0.62, 0.69, 0.8, 0.77, 0.79, and 0.82. The best GLUE-based calibrated set has scores of 0.56, 0.58, 0.71, 0.7, 0.71, and 0.8. The scores above show that the CNN-based calibration leads to more accurate low and high streamflow predictions than the GLUE and DDS sets. Our research demonstrates that the proposed method has high potential to improve our current practice in calibrating large-scale integrated hydrologic models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Real-Time Health Monitoring for Gas Turbine Components Using Online Learning and High-Dimensional Data (Final Report)

Capital-intensive turbomachinery, such as gas turbines and combined cycle plants, are constantly being monitored for performance anomalies, faults, and physical degradation. Although these power-generating assets are equipped with hundreds of sensors, existing monitoring tools can only handle moderate-sized data. As a result, only a handful of aggregate metrics are used to monitor machine health. At the same time, developing advanced tools suitable for large datasets have been restricted by the lack of appropriate data. The objective of this proposal was to demonstrate a Big Data analytics framework for fault detection and diagnosis in gas turbine applications. We develop a predictive analytics framework methodology guided by these experimental data, industrial data from our collaborators, and physics-based models with engineering domain knowledge. Our analytics framework consists of four key components: (1) a data curation process that addresses data storage, data quality assessments, and integrity checks, (2) a feature engineering component that utilizes statistical methods and transformation algorithms guided by physics-based models to extract high-fidelity fault features that can be leveraged for fault detection and classifying fault severities, (3) a Machine Learning-based fault detection and diagnostics algorithms for detecting operational and hardware faults in the combustion and the turbines section. We utilize two industry-class gas turbine component test rigs to generate first of its kind data for critical gas turbine faults with varying severity levels. Advanced gas turbine test facilities will be interrogated using state-of-the-art instrumentation techniques to build fault signatures and data trends for key combustor and turbine faults. Data generated from a combustor test rig (Georgia Tech) and a turbine test rig (Penn State) during both normal operation and with seeded faults serve as the basis for the Big Data sets. The test conditions in the two test facilities include common, critical events that occur in the operation. Utilizing the combustor test rig, we examine two common combustor faults: lean blowout and centerbody degradation. For the turbine section we develop analytic models for monitoring cooling faults in the gas turbine.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2024

Get Non-Real: Randomized Sketching for High-Dimensional Non-Real Valued Data (Final Report)

In our final report for DE-C0022186, we describe the work we did on this grant towards the goals we proposed. Our first goal was characterizing fundamental limits for sketching of discrete high-dimensional matrices with low-dimensional structures. Our second main goal was designing algorithms for data reconstruction from sketches. We focus on approaches that are either specifically designed for non-real-valued data (binary, finite field) or that will translate more readily to that setting.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

DNTTD (Distributed Non-Negative Tensor Train Decomposition)

The era of exascale computing opens new venues for innovations and discoveries in many scientific, engineering, and commercial fields. However, with the exa flops also come the extra-large high-dimensional data generated by high performance computing. High-dimensional data is presented as multidimensional arrays, aka tensors. The presence of latent (not directly observable) structures in the tensor allows a unique representation and compression of the data by classical tensor factorization techniques. However, the classical tensor methods are not always stable or they can be exponential in their memory requirements, which makes them not suitable for high-dimensional tensors. Tensor train (TT) is a state-of-the-art tensor network introduced for factorization of high-dimensional tensors. TT transforms the initial high-dimensional tensor in a network of three-dimensional tensors that requires only a linear storage. Many real-world data, such as, density, temperature, population, probability, etc., are non-negative and for an easy interpretation, the algorithms preserving non-negativity are preferred. Here, we introduce a distributed non-negative tensor-train and demonstrate its scalability and the compression on synthetic and real world big datasets.

Bhattarai, Manish↗