Chapter 6. Ill-posed problems and the regularization method. Regularizing algorithms for constructing force fields of polyatomic molecules on the base of experimental data

2014 ◽  
Keyword(s):  
Experimental Data ◽  
Regularization Method ◽  
Force Fields ◽  
Polyatomic Molecules ◽  
Regularizing Algorithms ◽  
Ill Posed

scholarly journals A modified Tikhonov regularization method based on Hermite expansion for solving the Cauchy problem of the Laplace equation

2020 ◽  
Vol 18 (1) ◽  
pp. 1685-1697
Author(s):  
Zhenyu Zhao ◽  
Lei You ◽  
Zehong Meng
Keyword(s):  
Cauchy Problem ◽  
Laplace Equation ◽  
Tikhonov Regularization ◽  
Regularization Method ◽  
Regularization Parameter ◽  
Solution Process ◽  
Tikhonov Regularization Method ◽  
Hermite Expansion ◽  
The Cauchy Problem ◽  
Ill Posed

Abstract In this paper, a Cauchy problem for the Laplace equation is considered. We develop a modified Tikhonov regularization method based on Hermite expansion to deal with the ill posed-ness of the problem. The regularization parameter is determined by a discrepancy principle. For various smoothness conditions, the solution process of the method is uniform and the convergence rate can be obtained self-adaptively. Numerical tests are also carried out to verify the effectiveness of the method.

scholarly journals Heating source localization in a reduced time

2016 ◽  
Vol 26 (3) ◽  
pp. 623-640 ◽  
Author(s):  
Sara Beddiaf ◽  
Laurent Autrique ◽  
Laetitia Perez ◽  
Jean-Claude Jolly
Keyword(s):  
Heat Conduction ◽  
Source Localization ◽  
Conjugate Gradient ◽  
Regularization Method ◽  
Three Dimensional ◽  
Gradient Algorithm ◽  
Iterative Regularization ◽  
Heating Source ◽  
Ill Posed ◽  
Reduced Time

Abstract Inverse three-dimensional heat conduction problems devoted to heating source localization are ill posed. Identification can be performed using an iterative regularization method based on the conjugate gradient algorithm. Such a method is usually implemented off-line, taking into account observations (temperature measurements, for example). However, in a practical context, if the source has to be located as fast as possible (e.g., for diagnosis), the observation horizon has to be reduced. To this end, several configurations are detailed and effects of noisy observations are investigated.

scholarly journals Correction: Developing force fields when experimental data is sparse: AMBER/GAFF-compatible parameters for inorganic and alkyl oxoanions

2018 ◽  
Vol 20 (44) ◽  
pp. 28346-28347 ◽  
Author(s):  
Sadra Kashefolgheta ◽  
Ana Vila Verde
Keyword(s):  
Experimental Data ◽  
Force Fields ◽  
Chem Phys ◽  
Phys Chem Chem Phys

Correction for ‘Developing force fields when experimental data is sparse: AMBER/GAFF-compatible parameters for inorganic and alkyl oxoanions’ by Sadra Kashefolgheta et al., Phys. Chem. Chem. Phys., 2017, 19, 20593–20607.

scholarly journals Two-Parameter Regularization Method for a Nonlinear Backward Heat Problem with a Conformable Derivative

Complexity ◽  
2020 ◽  
Vol 2020 ◽  
pp. 1-15
Author(s):  
Vu Ho ◽  
Donal O’Regan ◽  
Hoa Ngo Van
Keyword(s):  
Integral Equation ◽  
Regularization Method ◽  
Time Variable ◽  
Conformable Derivative ◽  
Heat Problem ◽  
Regularization Parameters ◽  
Ill Posed ◽  
Parameter Regularization ◽  
Two Parameter ◽  
Backward Heat Problem

In this paper, we consider the nonlinear inverse-time heat problem with a conformable derivative concerning the time variable. This problem is severely ill posed. A new method on the modified integral equation based on two regularization parameters is proposed to regularize this problem. Numerical results are presented to illustrate the efficiency of the proposed method.

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