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Accurate prediction of drug molecule solubility is crucial for therapeutic effectiveness and safety. Traditional methods often miss complex molecular structures, leading to inaccuracies. We introduce the YZS-Model, a deep learning framework…

Machine Learning · Computer Science 2024-08-14 Chenxu Wang , Haowei Ming , Jian He , Yao Lu , Junhong Chen

A new theoretical method, referred to as Generalized Langevin Mode Analysis (GLMA), is proposed to analyze the mode of structural fluctuations of a biomolecule in solution. The method combines the two theories in the statistical mechanics,…

Statistical Mechanics · Physics 2022-05-20 Masatake Sugita , Fumio Hirata

A systematic study on $\alpha$-decay half-lives for the nuclei in the range $93\leq Z \leq 118$ is done by employing various versions of proximity potentials. To obtain the more reliable results, the deformation terms are included up to…

Nuclear Theory · Physics 2021-09-29 M. Hassanzad , O. N. Ghodsi

Linear birth-and-death processes (LBDPs) are foundational stochastic models in population dynamics, evolutionary biology, and hematopoiesis. Estimating parameters from discretely observed data is computationally demanding due to irregular…

Computation · Statistics 2025-08-26 Xiaochen Long , Marek Kimmel

In the present work, we systematically study the two-proton (2p) radioactivity half-lives of nuclei close to the proton drip line within a modified Gamow-like model. Using this model, the calculated 2p radioactivity half-lives can well…

Nuclear Theory · Physics 2021-12-22 Hong-Ming Liu , You-Tian Zou , Xiao Pan , Biao He , Xiao-Hua Li

The canonical cosmological constant dominated cold dark matter model (LCDM) may possess too much power on small scales at z=0, manifested as central over-concentration of dark matter and over-abundance of dwarf galaxies. We suggest an…

Astrophysics · Physics 2009-10-31 Renyue Cen

Density functional calculations on atoms are often used for determining accurate initial guesses as well as generating various types of pseudopotential approximations and efficient atomic-orbital basis sets for polyatomic calculations. To…

Computational Physics · Physics 2023-10-30 Susi Lehtola

This study investigates the generalization capabilities and robustness of purely deep learning (DL) models and hybrid models based on physical principles in fluid dynamics applications, specifically focusing on iteratively forecasting the…

In this paper, the numerical approximation of the generalized Burgers'-Huxley equation (GBHE) with weakly singular kernels using non-conforming methods will be presented. Specifically, we discuss two new formulations. The first formulation…

Numerical Analysis · Mathematics 2023-11-02 Sumit Mahajan , Arbaz Khan

The augmented Lagrangiam method (ALM), widely used in quantum chemistry constrained optimization problems, is applied in the context of the nuclear Density Functional Theory (DFT) in the self-consistent constrained Skyrme…

Nuclear Theory · Physics 2014-11-21 A. Staszczak , M. Stoitsov , A. Baran , W. Nazarewicz

We investigate the regularization-scheme dependent treatment of $\gamma_{5}$ in the framework of dimensional regularization, mainly focusing on the four-dimensional helicity scheme (FDH). Evaluating distinctive examples, we find that for…

High Energy Physics - Phenomenology · Physics 2018-05-16 C. Gnendiger , A. Signer

The generalised linear model (GLM) is a very important tool for analysing real data in biology, sociology, agriculture, engineering and many other application domain where the relationship between the response and explanatory variables may…

Methodology · Statistics 2016-07-04 Abhik Ghosh , Ayanendranath Basu

$\alpha$-decay always has enormous impetuses to the development of physics and chemistry, in particular due to its indispensable role in the research of new elements. Although it has been observed in laboratories for more than a century, it…

Nuclear Theory · Physics 2021-01-20 J. M. Dong , Q. Zhao , L. J. Wang , W. Zuo , J. Z. Gu

For adaptive mixed finite element methods (AMFEM), we first introduce the data oscillation to analyze, without the restriction that the inverse of the coefficient matrix of the partial differential equations (PDEs) is a piecewise polynomial…

Numerical Analysis · Mathematics 2011-01-07 Shaohong Du , Xiaoping Xie

Heterogeneous Federated Learning (HFL) has gained significant attention for its capacity to handle both model and data heterogeneity across clients. Prototype-based HFL methods emerge as a promising solution to address statistical and model…

Machine Learning · Computer Science 2025-12-22 Fatema Siddika , Md Anwar Hossen , Wensheng Zhang , Anuj Sharma , Juan Pablo Muñoz , Ali Jannesari

Exponential decay estimates of a general linear weakly damped wave equation are studied with decay rate lying in a range. Based on the $C^0$-conforming finite element method to discretize spatial variables keeping temporal variable…

Numerical Analysis · Mathematics 2024-06-07 P. Danumjaya , Anil Kumar , Amiya K. Pani

The increasing complexity and scale of photonic and electromagnetic devices demand efficient and accurate numerical solvers. In this work, we develop a parallel overlapping domain decomposition method (DDM) based on the finite-difference…

Optics · Physics 2025-09-26 Zhanwen Wang , Chengnian Huang , Wangtao Lu , Yuntian Chen , Wei E. I. Sha

The coefficients of different combinations of terms of the liquid drop model have been determined by a least square fitting procedure to the experimental atomic masses. The nuclear masses can also be reproduced using a Coulomb radius taking…

Nuclear Theory · Physics 2007-05-23 G. Royer , C. Gautier

The evolution of the metallicity of damped Lyman alpha systems (DLAs) is investigated in order to understand the nature of these systems. The observational data on chemical abundances of DLAs are analysed with robust statistical methods,…

Astrophysics · Physics 2009-11-07 Gustavo A. Lanfranchi , Amancio Friaca

In this paper we present PDE and finite element analyses for a system of partial differential equations (PDEs) consisting of the Darcy equation and the Cahn-Hilliard equation, which arises as a diffuse interface model for the two phase…

Numerical Analysis · Mathematics 2013-04-26 Xiaobing Feng , Steven Wise
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