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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 235 records · Page 13

Image processing software for imaging spectrometry

The paper presents a software system, Spectral Analysis Manager (SPAM), which has been specifically designed and implemented to provide the exploratory analysis tools necessary for imaging spectrometer data, using only modest computational resources. The basic design objectives are described as well as the major algorithms designed or adapted for high-dimensional images. Included in a discussion of system implementation are interactive data display, statistical analysis, image segmentation and spectral matching, and mixture analysis.

Mazer, Alan S.↗

Robust eigenstructure assignment by a projection method - Applications using multiple optimization criteria

A methodology for robust eigenstructure assignment for multivariable feedback systems is presented. The algorithm is based upon a pole placement technique using projections onto subspaces of admissible eigenvectors. New ideas are introduced to generate target (desired) sets of unitary eigenvectors and determine optimal feasible eigenvectors in a least-square sense. Useful connections are established between the pole-placement by independent modal space control and the method introduced in this paper. A multicriterion optimization algorithm is also presented, which takes efficient advantage of the present eigenstructure assignment method. These developments show significant improvement over an earlier version of this algorithm in both computational cost and accuracy. This optimization process appears to be numerically robust and suitable for high-dimensional multicriterion optimizations; it is especially attractive for computer-aided design of control systems.

Rew, D. W.↗

Optical linear discriminant functions

The use of computer generated holograms to implement feature extraction operations has been achieved. The optical realization and use of multiple linear discriminant functions on a high-dimensionality feature space for large class pattern recognition is described and initial experimental results are provided.

Casasent, David↗

Visions of visualization aids: Design philosophy and experimental results

Aids for the visualization of high-dimensional scientific or other data must be designed. Simply casting multidimensional data into a two- or three-dimensional spatial metaphor does not guarantee that the presentation will provide insight or parsimonious description of the phenomena underlying the data. Indeed, the communication of the essential meaning of some multidimensional data may be obscured by presentation in a spatially distributed format. Useful visualization is generally based on pre-existing theoretical beliefs concerning the underlying phenomena which guide selection and formatting of the plotted variables. Two examples from chaotic dynamics are used to illustrate how a visulaization may be an aid to insight. Two examples of displays to aid spatial maneuvering are described. The first, a perspective format for a commercial air traffic display, illustrates how geometric distortion may be introduced to insure that an operator can understand a depicted three-dimensional situation. The second, a display for planning small spacecraft maneuvers, illustrates how the complex counterintuitive character of orbital maneuvering may be made more tractable by removing higher-order nonlinear control dynamics, and allowing independent satisfaction of velocity and plume impingement constraints on orbital changes.

Ellis, Stephen R.↗

A spectral feature design system for the HIRIS/MODIS era

A spectral feature design system for high-dimensional multispectral data is described. This system utilizes hard-limited or infinitely clipped optimal transforms and canonical analysis to extract the spectral features for data volume reduction and classification purposes. The design procedure is intended to be application-specific in order to make it maximally effective for each use. Although it could be used in a variety of circumstances, the procedure was designed with satellite data collection in mind, such as will be needed with the High-Resolution Imaging Spectrometer (HIRIS), a land-oriented Earth observational sensor intended for launch in the mid-1990s. The computation required for the steps prior to the actual satellite data collection are straightforward and could be done with readily available subroutines. The procedure is also defined in such a way as to require only very simple onboard calculations. The tests reported provide substantial data volume reduction in the satellite-to-Earth downlink and subsequent computation phases, while maintaining satisfactory classification accuracy.

Chen, Chih-Chien Thomas↗

Visions of visualization aids - Design philosophy and observations

Aids for the visualization of high-dimensional scientific or other data must be designed. Simply casting multidimensional data into a two-dimensional or three-dimensional spatial metaphor does not guarantee that the presentation will provide insight or a parsimonious description of phenomena implicit in the data. Useful visualization, in contrast to glitzy, high-tech, computer-graphics imagery, is generally based on preexisting theoretical beliefs concerning the underlying phenomena. These beliefs guide selection and formatting of the plotted variables. Visualization tools are useful for understanding naturally three-dimensional data bases such as those used by pilots or astronauts. Two examples of such aids for spatial maneuvering illustrate that informative geometric distortion may be introduced to assist visualization and that visualization of complex dynamics alone may not be adequate to provide the necessary insight into the underlying processes.

Ellis, Stephen R.↗

Topics in inference and decision-making with partial knowledge

Two essential elements needed in the process of inference and decision-making are prior probabilities and likelihood functions. When both of these components are known accurately and precisely, the Bayesian approach provides a consistent and coherent solution to the problems of inference and decision-making. In many situations, however, either one or both of the above components may not be known, or at least may not be known precisely. This problem of partial knowledge about prior probabilities and likelihood functions is addressed. There are at least two ways to cope with this lack of precise knowledge: robust methods, and interval-valued methods. First, ways of modeling imprecision and indeterminacies in prior probabilities and likelihood functions are examined; then how imprecision in the above components carries over to the posterior probabilities is examined. Finally, the problem of decision making with imprecise posterior probabilities and the consequences of such actions are addressed. Application areas where the above problems may occur are in statistical pattern recognition problems, for example, the problem of classification of high-dimensional multispectral remote sensing image data.

Safavian, S. Rasoul↗

An unsupervised feature extraction method for high dimensional image data compaction

A new on-line unsupervised feature extraction method for high-dimensional remotely sensed image data compaction is presented. This method can be utilized to solve the problem of data redundancy in scene representation by satellite-borne high resolution multispectral sensors. The algorithm first partitions the observation space into an exhaustive set of disjoint objects. Then, pixels that belong to an object are characterized by an object feature. Finally, the set of object features is used for data transmission and classification. The example results show that the performance with the compacted features provides a slight improvement in classification accuracy instead of any degradation. Also, the information extraction method does not need to be preceded by a data decompaction.

Ghassemian, Hassan↗

Indications of low dimensionality in magnetospheric dynamics

Using three separate but related approaches, the question of whether the dynamic response of the magnetosphere to the solar wind input may be described by a low-order system of equations is examined. First, it is determined that the dimension of the subset (the attractor) in the high-dimensional magnetospheric phase space associated with the westward auroral electrojet (AL) index for some of the data sets compiled by Bargatze et al. (1985) is 4.0 + or - 0.2, seemingly independent of activity level. Second, direct modeling of the magnetosphere, considering the bulk properties of the tail plasma, leads to a system of equations that is similar to those previously reported as a dripping faucet model; here, the focus is specifically on the prediction of a natural frequency in this model. Finally, a peak is identified with the predicted frequency in power spectra of AL computed for intervals with both low and high activity. Peaks at other frequencies also appear in the spectra, and such resonances would be expected for a chaotic nonlinear oscillator. Combining these approaches it is concluded that at least some aspects of magnetospheric dynamics may be meaningfully modeled by low-dimensional sets of equations.

Roberts, D. A.↗

DeepUQ: Assessing the Aleatoric Uncertainties from two Deep Learning Methods

Assessing the quality of aleatoric uncertainty estimates from uncertainty quantification (UQ) deep learning methods is important in scientific contexts, where uncertainty is physically meaningful and important to characterize and interpret exactly. We systematically compare aleatoric uncertainty measured by two UQ techniques, Deep Ensembles (DE) and Deep Evidential Regression (DER). Our method focuses on both zero-dimensional (0D) and two-dimensional (2D) data, to explore how the UQ methods function for different data dimensionalities. We investigate uncertainty injected on the input and output variables and include a method to propagate uncertainty in the case of input uncertainty so that we can compare the predicted aleatoric uncertainty to the known values. We experiment with three levels of noise. The aleatoric uncertainty predicted across all models and experiments scales with the injected noise level. However, the predicted uncertainty is miscalibrated to $\rm{std}(\sigma_{\rm al})$ with the true uncertainty for half of the DE experiments and almost all of the DER experiments. The predicted uncertainty is the least accurate for both UQ methods for the 2D input uncertainty experiment and the high-noise level. While these results do not apply to more complex data, they highlight that further research on post-facto calibration for these methods would be beneficial, particularly for high-noise and high-dimensional settings.

Nevin, Rebecca↗

Using machine learning to jointly harness the strength of microscopic, fundamental-science driven and macroscopic, application-driven experiments

The PARADIGM project aims at accelerating progress in science by quantitatively answering the following question: What is the optimal combination of fundamental-science and application driven experiments to maximally reduce pertinent data uncertainties? Hence, we are bridging between microscopic experiments and data, and macroscopic simulations and experiments. Answering this question entails solving a high-dimensional and complex optimization problem which we solve with machine learning techniques.

LANSCE↗

ZEUS: An Efficient GPU Optimization Method Integrating PSO, BFGS, and Automatic Differentiation

We introduce a novel, efficient computational method, ZEUS, for numerical optimization, and provide an open-source implementation. It has four key ingredients: (1) particle swarm optimization (PSO), (2) the use of the Broyden-Fletcher-Goldfarb-Shanno (BFGS) method, (3) automatic differentiation (AD), and (4) GPUs. Our approach addresses the computational challenges inherent in high-dimensional, non-convex optimization problems. In the first phase of the algorithm, we get a potentially good set of starting points using PSO. Thereafter, we run BFGS independently in parallel from these starting points. BFGS is one of the best-performing algorithms for numerical optimization. However, it requires the gradient of the function being optimized. ZEUS integrates automatic differentiation into BFGS thus avoiding the need for the user to calculate derivatives explicitly. The use of GPUs allows ZEUS to speed up the calculations substantially. We carry out systematic studies to explore the trade-offs between the number of PSO iterations taken, starting points, and BFGS iteration depth. We show that a handful of iterations of PSO can improve global convergence when combined with BFGS. We also present performance studies using common test functions. The source code can be found at https://github.com/fnal-numerics/global-optimizer-gpu.

Soos, Dominik [Old Dominion U.]↗

HDSense: An efficient method for ranking observable sensitivity

Identifying which observables most effectively constrain model parameters can be computationally prohibitive when considering full likelihoods of many correlated observables. This is especially important for, e.g., hadronization models, where high precision is required to interpret the results of collider experiments. We introduce the High-Dimensional Sensitivity (HDSense) score, a computationally efficient metric for ranking observable sets using only one-dimensional histograms. Derived by profiling over unknown correlations in the Fisher information framework, the score balances total information content against redundancy between observables. We apply HDSense to rank a set observables in terms of their constraining power with respect to five parameters of the Lund string model of hadronization implemented in Pythia using simulated leptonic collider events at the $Z$ pole. Validation against machine-learning--based full-likelihood approximations demonstrates that HDSense successfully identifies near-optimal observable subsets. The framework naturally handles data from multiple experiments with different acceptances and incorporates detector effects. While demonstrated on hadronization models, the methodology applies broadly to generic parameter estimation problems where correlations are unknown or difficult to model.

Assi, Benoît [Cincinnati U.] (ORCID:00000003092433↗

Generative models on phase space

Deep generative models such as diffusion and flow matching are powerful machine learning tools capable of learning and sampling from high-dimensional distributions. They are particularly useful when the training data appears to be concentrated on a submanifold of the data embedding space. For high-energy physics data, consisting of collections of relativistic energy-momentum 4-vectors, this submanifold can enforce extremely strong physically-motivated priors, such as energy and momentum conservation. If these constraints are learned only approximately, rather than exactly, this can inhibit the interpretability and reliability of such generative models. To remedy this deficiency, we introduce generative models which are, by construction, confined at every step of their sampling trajectory to the manifold of massless N-particle Lorentz-invariant phase space in the center-of-momentum frame. In the case of diffusion models, the "pure noise" forward process endpoint corresponds to the uniform distribution on phase space, which provides a clear starting point from which to identify how correlations among the particles emerge during the reverse (de-noising) process. We demonstrate that our models are able to learn both few-particle and many-particle distributions with various singularity structures, paving the way for future interpretability studies using generative models trained on simulated jet data.

Bogorad, Zachary [Fermilab]↗

CaloTrilogy: Toward a Breakthrough in One-Step, End-to-End, Physics-Guided Shower Generation for Modern Calorimeters

High-precision calorimeter simulation at current and future colliders imposes rapidly growing computational demands, motivating the development of machine-learning surrogates for traditional Monte Carlo tools such as Geant4. Flow matching and diffusion-based generative models have become leading approaches for high-dimensional fast simulation because of their sample quality, but typically require ${\cal O}(100)$ function evaluations at inference and often rely on auxiliary networks to constrain global observables, compromising streamlined end-to-end generation. We introduce a unified framework that improves the balance between speed, shower quality, and physics fidelity. The method combines: (i) an average velocity field integrator that enables sampling in one or a few evaluations; (ii) a learned generative prior in shower space, constructed from data rather than random noise; and (iii) physics-guided loss terms that impose inductive biases on key observables during training. These elements are training time regularizers, preserving end-to-end inference with no additional cost. With only one or a few evaluation steps, the model achieves shower quality competitive with state-of-the-art flow and diffusion approaches, tested on several public high granularity calorimeter datasets. The results demonstrate inter-layer shower structure consistent with the underlying physics, providing a strong candidate for future fast simulation workflows.

Jiang, Cheng [Edinburgh U.]↗

Affine Transformations to Enable Machine Learning for Semi-Quantitative EDS Analysis

Energy Dispersive X-ray Spectroscopy (EDS) is an essential technique for determining elemental concentrations and distributions within microstructures, critical for materials discovery, optimization, and qualification. However, most published EDS data is qualitative because current quantitative EDS analysis methods require extensive calibration and post-processing, limiting their practicality and widespread adoption. This work seeks to establish a framework for accelerated EDS characterization and spectrum analysis that can leverage ML to analyze correlations between various elemental compositions and resulting EDS spectra. The complex physics and data result in a high-dimensional problem that grows exponentially with the number of elements in the system and the complexity of the spectrum analysis. ML provides a way to compute and optimize the results of this highly dimensional problem in a flexible way to tailor it to the user’s specific needs and material system. However, the framework emphasizes transparency through a strictly mathematical affine transformation, so the analysis remains understandable and reviewable to facilitate adoption by the scientific community. While currently implemented methods are simplistic and unvalidated, further development and demonstration of this framework could enable high-throughput, accurate, and accessible EDS characterization.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Affine Transformations to Correlate Experimental and Simulated EDS Spectra for Multi-Element Systems

Energy Dispersive X-ray Spectroscopy (EDS) is an essential technique for determining elemental concentrations and distributions within microstructures, critical for materials discovery, optimization, and qualification. However, most published EDS data is qualitative because current quantitative EDS analysis methods require extensive calibration and post-processing, limiting their practicality and widespread adoption. This work seeks to establish a framework for accelerated EDS characterization and spectrum analysis that can leverage ML to analyze correlations between various elemental compositions and resulting EDS spectra. The complex physics and data result in a high-dimensional problem that grows exponentially with the number of elements in the system and the complexity of the spectrum analysis. ML provides a way to compute and optimize the results of this highly dimensional problem in a flexible way to tailor it to the user’s specific needs and material system. However, the framework emphasizes transparency through a strictly mathematical affine transformation, so the analysis remains understandable and reviewable to facilitate adoption by the scientific community. While currently implemented methods are simplistic and unvalidated, further development and demonstration of this framework could enable high-throughput, accurate, and accessible EDS characterization.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Strong Lensing Cosmology with Population-level Calibrated Neural Ratio Estimation

Strong gravitational lensing contains key information about cosmic acceleration. Modern and next-generation galaxy imaging surveys are expected to provide high-quality data on $\mathcal{O}(10^5)$ galaxy-galaxy lensing systems. The plethora and complexity of the data are likely to present computational challenges for parameter inference methods for fitting high-dimensional likelihoods, which are often analytically intractable. Neural Ratio Estimation (NRE) efficiently computes individual likelihood ratios that can be combined into population-level posteriors. We use simulations to study the capacity of NRE to jointly predict the dark energy equation-of-state parameter $w$ and the total matter density $Ω_{m}$ from lensing images and companion spectroscopic information. We also introduce a post hoc posterior coverage calibration procedure that mitigates the model overconfidence that is typically found in neural density estimation applications. Our experiments show that the errors on both parameters decrease with increasing inference population sizes. In particular, for 100 lenses in a standard $Λ$CDM Universe, our calibrated NRE model achieves median fractional uncertainty of $22.8\%$ in $w$ and $2.9\%$ in $Ω_{m}$. This proof of concept demonstrates a potentially scalable approach for efficient cosmological parameter inference with large populations of galaxy-scale lenses observed in future surveys.

Jarugula, Sreevani [Fermilab] (ORCID:0000000253867↗