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Graph neural networks (GNNs) have shown considerable promise in computational chemistry. However, the limited availability of molecular data raises concerns regarding GNNs' ability to effectively capture the fundamental principles of…

Machine Learning · Computer Science 2025-03-12 Junyi An , Chao Qu , Yun-Fei Shi , XinHao Liu , Qianwei Tang , Fenglei Cao , Yuan Qi

Data assimilation methods aim at estimating the state of a system by combining observations with a physical model. When sequential data assimilation is considered, the joint distribution of the latent state and the observations is described…

Methodology · Statistics 2018-04-23 Thi Tuyet Trang Chau , Pierre Ailliot , Valérie Monbet , Pierre Tandeo

In this paper we focus on jointly estimating the edge probabilities for multi-layer networks. We define a novel multi-layer graphon, a ternary function in contrast to the bivariate graphon function in the literature by introducing an…

Methodology · Statistics 2026-01-29 Yong He , Zizhou Huang , Bingyi Jing , Diqing Li

For low-pressure discharges, when the electron mean free path is larger or comparable with the discharge length, the electron dynamics is essentially nonlocal. Moreover, the electron energy distribution function (EEDF) deviates considerably…

Plasma Physics · Physics 2016-09-08 Igor D. Kaganovich

Simple Exponential Smoothing is a classical technique used for smoothing time series data by assigning exponentially decreasing weights to past observations through a recursive equation; it is sometimes presented as a rule of thumb…

Methodology · Statistics 2024-03-08 Enrico Bernardi , Alberto Lanconelli , Christopher S. A. Lauria

The neural network method of solving differential equations is used to approximate the electric potential and corresponding electric field in the slit-well microfluidic device. The device's geometry is non-convex, making this a challenging…

Computational Physics · Physics 2020-07-29 Martin Magill , Andrew M. Nagel , Hendrick W. de Haan

We consider the classical problem of learning, with arbitrary accuracy, the natural parameters of a $k$-parameter truncated \textit{minimal} exponential family from i.i.d. samples in a computationally and statistically efficient manner. We…

Machine Learning · Computer Science 2023-09-13 Abhin Shah , Devavrat Shah , Gregory W. Wornell

Electron momentum density and Compton profiles in Lithium along $<100 >$, $<110>$, and $<111>$ directions are calculated using Full-Potential Linear Augmented Plane Wave basis within generalized gradient approximation. The profiles have…

Materials Science · Physics 2009-10-31 Tunna Baruah , Rajendra R. Zope , Anjali Kshirsagar

To build the connectomics map of the brain, we developed a new algorithm that can automatically refine the Membrane Detection Probability Maps (MDPM) generated to perform automatic segmentation of electron microscopy (EM) images. To achieve…

Neural and Evolutionary Computing · Computer Science 2015-06-22 Xundong Wu

We study the problem of sampling from a distribution $\mu$ with density $\propto e^{-V}$ for some potential function $V:\mathbb R^d\to \mathbb R$ with query access to $V$ and $\nabla V$. We start with the following standard assumptions: (1)…

Data Structures and Algorithms · Computer Science 2026-02-10 Yuchen He , Zhehan Lei , Jianan Shao , Chihao Zhang

Electroencephalography (EEG) signals are inherently non-linear, non-stationary, and vulnerable to noise sources, making the extraction of discriminative features a long-standing challenge. In this work, we investigate the non-linear…

Signal Processing · Electrical Eng. & Systems 2026-02-17 Ioanna Chourdaki , Kleanthis Avramidis , Christos Garoufis , Athanasia Zlatintsi , Petros Maragos

Computational Fluid Dynamics (CFD) simulations using turbulence models are commonly used in engineering design. Of the different turbulence modeling approaches that are available, eddy viscosity based models are the most common for their…

Fluid Dynamics · Physics 2023-10-24 Minghan Chu , Weicheng Qian

Previously developed method for finding asymptotic solutions of Vlasov equations using two-dimensional (in coordinate x and time t) Laplace transform is here applied to consider transversal oscillations and waves in low-collision…

Plasma Physics · Physics 2007-05-23 V. N. Soshnikov

This work investigates the discharge properties of a cylindrical magnetized capacitive coupled plasma discharge produced between a pair of coaxial cylinders. For the purpose of diagnosing plasma properties and electron energy distribution…

Plasma current instabilities can destabilize the plasma discharge and cool the plasma rapidly. In such $\textit{disruptions}$ or in the start-up phase of the reactor, inductive electric fields are generated which accelerate electrons to…

Plasma Physics · Physics 2024-10-30 Benjamin Buchholz

Consider an open set $\mathbb{D}\subseteq\mathbb{R}^n$, equipped with a probability measure $\mu$. An important characteristic of a smooth function $f:\mathbb{D}\rightarrow\mathbb{R}$ is its \emph{second-moment matrix} $\Sigma_{\mu}:=\int…

Information Theory · Computer Science 2019-09-10 Armin Eftekhari , Michael B. Wakin , Ping Li , Paul G. Constantine

Over the years data assimilation methods have been developed to obtain estimations of uncertain model parameters by taking into account a few observations of a model state. The most reliable methods of MCMC are computationally expensive.…

Applications · Statistics 2018-11-14 Sangeetika Ruchi , Svetlana Dubinkina

The ambiguity involved in the use of Maxwell's equation particularly in electron plasmas is discussed. It is pointed out that in the slow time scale perturbations the displacement current is ignored but it does not imply that the electron…

Plasma Physics · Physics 2011-07-20 H. Saleem

Motivated by oceanographic observational datasets, we propose a probabilistic neural network (PNN) model for calculating turbulent energy dissipation rates from vertical columns of velocity and density gradients in density stratified…