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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 271 records · Page 15

Generative Ensemble Regression: Learning Particle Dynamics from Observations of Ensembles with Physics-informed Deep Generative Models

Here, we propose a new method for inferring the governing stochastic ordinary differential equations (SODEs) by observing particle ensembles at discrete and sparse time instants, i.e., multiple “snapshots.” Particle coordinates at a single time instant, possibly noisy or truncated, are recorded in each snapshot but are unpaired across the snapshots. By training a physics-informed generative model that generates “fake” sample paths, we aim to fit the observed particle ensemble distributions with a curve in the probability measure space, which is induced from the inferred particle dynamics. We employ different metrics to quantify the differences between distributions, e.g., the sliced Wasserstein distances and the adversarial losses in generative adversarial networks. We refer to this method as generative “ensemble-regression” (GER), in analogy to the classic “point-regression,” where we infer the dynamics by performing regression in the Euclidean space. We illustrate the GER by learning the drift and diffusion terms of particle ensembles governed by SODEs with Brownian motions and Lévy processes up to 100 dimensions. We also discuss how to treat cases with noisy or truncated observations. Apart from systems consisting of independent particles, we also tackle nonlocal interacting particle systems with unknown interaction potential parameters by constructing a physics-informed loss function. Finally, we investigate scenarios of paired observations and discuss how to reduce the dimensionality in such cases by proving a convergence theorem that provides theoretical support.

97 MATHEMATICS AND COMPUTING↗

Algebra of hyperbolic band theory under magnetic field

We explore algebras associated with the hyperbolic band theory under a magnetic field for the first time. We define the magnetic Fuchsian group associated with a higher genus Riemann surface. By imposing the magnetic boundary conditions for the hyperbolic Bloch states, we construct the hyperbolic magnetic Bloch states and investigate their energy spectrum. We give a connection between such magnetic Bloch states and automorphic forms. Our theory is a general extension of the conventional algebra associated with the band theory defined on a Euclidean lattice/space into that of the band theory on a general hyperbolic lattice/Riemann surface.

Physics↗

Impurity lattice Monte Carlo for hypernuclei

Abstract We consider the problem of including $$\varLambda $$ Λ hyperons into the ab initio framework of nuclear lattice effective field theory. In order to avoid large sign oscillations in Monte Carlo simulations, we make use of the fact that the number of hyperons is typically small compared to the number of nucleons in the hypernuclei of interest. This allows us to use the impurity lattice Monte Carlo method, where the minority species of fermions in the full nuclear Hamiltonian is integrated out and treated as a worldline in Euclidean projection time. The majority fermions (nucleons) are treated as explicit degrees of freedom, with their mutual interactions described by auxiliary fields. This is the first application of the impurity lattice Monte Carlo method to systems where the majority particles are interacting. Here, we show how the impurity Monte Carlo method can be applied to compute the binding energies of the light hypernuclei. In this exploratory work we use spin-independent nucleon–nucleon and hyperon–nucleon interactions to test the computational power of the method. We find that the computational effort scales approximately linearly in the number of nucleons. The results are very promising for future studies of larger hypernuclear systems using chiral effective field theory and realistic hyperon–nucleon interactions, as well as applications to other quantum many-body systems.

Frame, Dillon↗

Fast estimation of the look-elsewhere effect using Gaussian random fields

Abstract We discuss the use of Gaussian random fields to estimate the look-elsewhere effect correction. We show that Gaussian random fields can be used to model the null-hypothesis significance maps from a large set of statistical problems commonly encountered in physics, such as template matching and likelihood ratio tests. Some specific examples are searches for dark matter using pixel arrays, searches for astronomical transients, and searches for fast-radio bursts. Gaussian random fields can be sampled efficiently in the frequency domain, and the excursion probability can be fitted with these samples to extend any estimation of the look-elsewhere effect to lower p values. In addition, in cases where the Gaussian random field is stationary and the parameter space is Euclidean, the look-elsewhere effect correction can be computed analytically. We demonstrate these methods using two example template matching problems. Finally, we apply these methods to estimate the trial factor of a $$4^3$$ 4 3 accelerometer array for the detection of dark matter tracks in the Windchime project. When a global significance of $$3\sigma $$ 3 σ is required, the estimated trial factor for such an accelerometer array is $$10^{14}$$ 10 14 for a one-second search, and $$10^{22}$$ 10 22 for a 1-year search.

Qin, Juehang (ORCID:0000000182288949)↗

From the black hole conundrum to the structure of quantum gravity

Here, we portray the structure of quantum gravity emerging from recent progress in understanding the quantum mechanics of an evaporating black hole. Quantum gravity admits two different descriptions, based on Euclidean gravitational path integral and a unitarily evolving holographic quantum system, which appear to present vastly different pictures under the existence of a black hole. Nevertheless, these two descriptions are physically equivalent. Various issues of black hole physics — including the existence of the interior, unitarity of the evolution, the puzzle of too large interior volume, and the ensemble nature seen in certain calculations — are addressed very differently in the two descriptions, still leading to the same physical conclusions. The perspective of quantum gravity developed here is expected to have broader implications beyond black hole physics, especially for the cosmology of the eternally inflating multiverse.

79 ASTRONOMY AND ASTROPHYSICS↗

Theory and applications of parton pseudodistributions

We review the basic theory of the parton pseudodistributions approach and its applications to lattice extractions of parton distribution functions. The crucial idea of the approach is the realization that the correlator $M(z,p)$ of the parton fields is a function $M(ν,-z^2)$ of Lorentz invariants $ν=-(zp)$, the Ioffe time, and the invariant interval $z^2$. This observation allows to extract the Ioffe-time distribution $M(ν,-z^2)$ from Euclidean separations z accessible on the lattice. Another basic feature is the use of the ratio $M(ν,-z^2)≡M(ν,-z^2)/M(0,-z^2)$, that allows to eliminate artificial ultraviolet divergence generated by the gauge link for spacelike intervals. The remaining $z^2$-dependence of the reduced Ioffe-time distribution $M(ν,-z^2)$ corresponds to perturbative evolution, and can be converted into the scale-dependence of parton distributions $f(x,μ^2)$ using matching relations. The ν-dependence of $M(ν,-z^2)$ governs the x-dependence of parton densities $f(x,μ^2)$. The perturbative evolution was successfully observed in exploratory quenched lattice calculation. The analysis of its precise data provides a framework for extraction of parton densities using the pseudodistributions approach. It was used in the recently performed calculations of the nucleon and pion valence quark distributions. We also discuss matching conditions for the pion distribution amplitude and generalized parton distributions, the lattice studies of which are now in progress.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Exploring 2 + 2 answers to 3 + 1 questions

We explore potential uses of physics formulated in Kleinian (i.e. 2 + 2) signature spacetimes as a tool for understanding properties of physics in Lorentzian (i.e. 3 + 1) signature. Much as Euclidean (i.e. 4 + 0) signature quantities can be used to formally construct the ground state wavefunction of a Lorentzian signature quantum field theory, a similar analytic continuation to Kleinian signature constructs a state of low particle flux in the direction of analytic continuation. There is also a natural supersymmetry algebra available in 2 + 2 signature, which serves to constrain the structure of correlation functions. Spontaneous breaking of Lorentz symmetry can produce various [Formula: see text] supersymmetry algebras that in 3 + 1 signature correspond to nonsupersymmetric systems. We speculate on the possible role of these structures in addressing the cosmological constant problem.

Physics↗

Wigner meets ’t Hooft near the black hole horizon

Recent work on Euclidean quantum gravity, black hole thermodynamics, and the holographic principle has seen the return of random matrix models as a powerful tool. It is explained how they allow for the study of the physics well beyond the perturbative expansion. In fact, a fully nonperturbative treatment naturally unites the familiar approach of summing over smooth geometries of all topologies with the statistical approach to characterize the typical properties of a Hamiltonian. Remarkably, this leads to an explicit excavation of the underlying microstates of quantum gravity that has applications to the low-temperature dynamics of a large class of black holes.

Astronomy & Astrophysics↗

Dynamic Importance Sampling

Dynamic Importance (DynIm) Sampling is a new approach for importance sampling in high-dimensional space. DynIm has two key characteristics. (1) Importance sampling: The notion of importance of candidate samples is used to guide the sampling, where importance is defined based on the (dis)similarity from previously selected samples (via Euclidean distance metric). (2) Dynamic sampling: The sampling can be performed dynamically, as new candidates are generated and new samples must be selected. DynIm was developed as part of a machine learning based coupling of scales in large multiscale simulations and can be used for a variety of applications.

Bhatia, Harsh↗

e3nn tutorial v0.2

Repository and website for tutorials on 3d Euclidean equivariant neural networks.

Smidt, Tess↗

Clustering Algorithm for AM Parts using GSH and EDT with Autoencoder

SAND2025-10103O The Clustering Algorithm for AM Parts Using GSH and (EDT With Autoencoder is a software tool. It uses a clustering algorithm for additive manufacturing (AM) parts using generalized spherical harmonics (GSH) and Euclidean distance transform (EDT) with an autoencoder to quantify material microstructure. The tool offers improved sensitivity to microstructural changes compared to traditional approaches. The tool integrates multiple microstructural properties, such as grain morphology, crystallographic orientation, and material phase information, to provide a comprehensive analysis of material microstructures. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Rodgers, Theron [Sandia National Lab. (SNL-CA), Li↗

Catalyst-Vision (PEM Catalyst Layer Image Analysis Tool) [SWR-25-100]

Catalyst-Vision (PEM Catalyst Layer Image Analysis Tool) provides an advanced Python-based tool, primarily designed for use in a Jupyter/Colab notebook, for the quantitative morphological analysis of pre-segmented shapes. While developed for analyzing PEM catalyst layers from microscopy, its methodology is suitable for characterizing any grayscale object provided on a uniform white background. The tool uses a robust computer vision pipeline based on the Euclidean Distance Transform and skeletonization to accurately measure local thickness and tortuosity, providing a comprehensive characterization of an object's geometry and internal texture. If you find this code useful, please cite our preprint as: Chan, Ai-Lin and Hayden, Steven and Harvey, Steven P. and Smeaton, Michelle and Okrucky, Caleb and Watt, John and Ulična, Soňa and Spurgeon, Steven and Jungjohann, Katherine and Alia, Shaun, Mechanism-informed breakdown: understanding degradation by controlling voltage hold patterns in PEM water electrolyzers. Preprint (2025).

Spurgeon, Steven [National Laboratory of the Rocki↗

Influences of cloud vertical overlapping on the calculated cloud albedo and their validation with satellite observations

Cloud albedo is expected to influence cloud radiative forcing in addition to cloud fraction, and inadequate description of the cloud overlapping effects on the cloud fraction may influence the simulated cloud fraction, and thus the relative cloud radiative forcing (RCRF) and cloud albedo. In this study, we first present a new formula by extending that presented previously in Liu et al. (2011) to consider multilayer clouds directly in the relationship between cloud albedo, cloud fraction and RCRF, and then quantitatively evaluate the effects of different cloud vertical overlapping structures, represented by the decorrelation length scales (L cf ), on the simulated cloud albedos. We use the BCC_AGCM2.0_CUACE/Aero model with simultaneous validation by observations from the Clouds and the Earth's Radiation Energy System (CERES) satellite. When L cf < 4 km (i.e., the cloud overlap is closer to the random overlap), the simulated cloud albedos are generally in good agreement with the satellite-based albedos for December– February and June–August; when L cf ≥ 4 km (i.e., the cloud vertical overlap is closer to the maximum overlap), the difference between simulated and observed cloud albedos became larger, due mainly to significant differences in cloud fractions and RCRF. Further quantitative analysis shows that the relative Euclidean distance, which represents the degree of overall model–observation disagreement, increases with the L cf for all three variables (cloud albedo, cloud fraction and RCRF), indicating the importance of cloud vertical overlapping in determining the accuracy of the calculated cloud albedo for multilayer clouds.

54 ENVIRONMENTAL SCIENCES↗

Structure-informed clustering for population stratification in association studies

Background: Identifying variants associated with complex traits is a challenging task in genetic association studies due to linkage disequilibrium (LD) between genetic variants and population stratification, unrelated to the disease risk. Existing methods of population structure correction use principal component analysis or linear mixed models with a random effect when modeling associations between a trait of interest and genetic markers. However, due to stringent significance thresholds and latent interactions between the markers, these methods often fail to detect genuinely associated variants. Results: To overcome this, we propose CluStrat, which corrects for complex arbitrarily structured populations while leveraging the linkage disequilibrium induced distances between genetic markers. It performs an agglomerative hierarchical clustering using the Mahalanobis distance covariance matrix of the markers. In simulation studies, we show that our method outperforms existing methods in detecting true causal variants. Applying CluStrat on WTCCC2 and UK Biobank cohorts, we found biologically relevant associations in Schizophrenia and Myocardial Infarction. CluStrat was also able to correct for population structure in polygenic adaptation of height in Europeans. Conclusions: CluStrat highlights the advantages of biologically relevant distance metrics, such as the Mahalanobis distance, which captures the cryptic interactions within populations in the presence of LD better than the Euclidean distance.

59 BASIC BIOLOGICAL SCIENCES↗

General Bayesian Inference over the Stiefel Manifold via the Givens Transform

We introduce here an approach based on the Givens representation for posterior inference in statistical models with orthogonal matrix parameters, such as factor models and probabilistic principal component analysis (PPCA). We show how the Givens representation can be used to develop practical methods for transforming densities over the Stiefel manifold into densities over subsets of Euclidean space. We demonstrate how to deal with issues arising from the topology of the Stiefel manifold and how to inexpensively compute the change-of-measure terms. We introduce an auxiliary parameter approach that limits the impact of topological issues. We provide both analysis of our methods and numerical examples demonstrating the effectiveness of the approach. We also discuss how our Givens representation can be used to define general classes of distributions over the space of orthogonal matrices. We then give demonstrations on several examples showing how the Givens approach performs in practice in comparison with other methods.

97 MATHEMATICS AND COMPUTING↗

Enabling Real-Time Communication in Multi-Agent Systems: A Graph Neural Network Based Approach

Global connectivity enables effective coordination in Multi-Agent Systems (MAS). Solving these connection problems under hardware constraints is an NP-hard non-Euclidean Degree Constrained Minimum Spanning Tree (DCMST) problem. Prior MAS controllers coordinate team movement for task completion and collision avoidance; some considering Line-of-Sight (LOS) maintenance but prioritizing flexibility over guarantees. Evolutionary Algorithms (EA) have been shown to find good solutions for DCMST, but their performance degrades with larger populations required to support a large MAS. We present a method based on edge graph attention networks, trained offline to reduce online computation times. Empirical comparisons with greedy polynomial-time solvers and EA show that our method leverages latent graph information to consistently find constraint-satisfying solutions in less time.

connectivity maintenance↗

Using spatio-temporal graph neural networks to estimate fleet-wide photovoltaic performance degradation patterns

Accurate estimation of photovoltaic (PV) system performance is crucial for determining its feasibility as a power generation technology and financial asset. PV-based energy solutions offer a viable alternative to traditional energy resources due to their superior Levelized Cost of Energy (LCOE). A significant challenge in assessing the LCOE of PV systems lies in understanding the Performance Loss Rate (PLR) for large fleets of PV systems. Estimating the PLR of PV systems becomes increasingly important in the rapidly growing PV industry. Precise PLR estimation benefits PV users by providing real-time monitoring of PV module performance, while explainable PLR estimation assists PV manufacturers in studying and enhancing the performance of their products. However, traditional PLR estimation methods based on statistical models have notable drawbacks. Firstly, they require user knowledge and decision-making. Secondly, they fail to leverage spatial coherence for fleet-level analysis. Additionally, these methods inherently assume the linearity of degradation, which is not representative of real world degradation. To overcome these challenges, we propose a novel graph deep learning-based decomposition method called the Spatio-Temporal Graph Neural Network for fleet-level PLR estimation (PV-stGNN-PLR). PV-stGNN-PLR decomposes the power timeseries data into aging and fluctuation components, utilizing the aging component to estimate PLR. PV-stGNN-PLR exploits spatial and temporal coherence to derive PLR estimation for all systems in a fleet and imposes flatness and smoothness regularization in loss function to ensure the successful disentanglement between aging and fluctuation. We have evaluated PV-stGNN-PLR on three simulated PV datasets consisting of 100 inverters from 5 sites. Experimental results show that PV-stGNN-PLR obtains a reduction of 33.9% and 35.1% on average in Mean Absolute Percent Error (MAPE) and Euclidean Distance (ED) in PLR degradation pattern estimation compared to the state-of-the-art PLR estimation methods.

14 SOLAR ENERGY↗

Effectiveness of Deep Learning Trained on SynthCity Data for Urban Point-Cloud Classification

3D object recognition is one of the most popular areas of study in computer vision. Many of the more recent algorithms focus on indoor point clouds, classifying 3D geometric objects, and segmenting outdoor 3D scenes. One of the challenges of the classification pipeline is finding adequate and accurate training data. Hence, this article seeks to evaluate the accuracy of a synthetically generated data set called SynthCity, tested on two mobile laser-scan data sets. Varying levels of noise were applied to the training data to reflect varying levels of noise in different scanners. The chosen deep-learning algorithm was Kernel Point Convolution, a convolutional neural network that uses kernel points in Euclidean space for convolution weights.

Geology↗