Literature DB >> 21927520

Parameter Estimation as a Problem in Statistical Thermodynamics.

Keith A Earle1, David J Schneider.   

Abstract

In this work, we explore the connections between parameter fitting and statistical thermodynamics using the maxent principle of Jaynes as a starting point. In particular, we show how signal averaging may be described by a suitable one particle partition function, modified for the case of a variable number of particles. These modifications lead to an entropy that is extensive in the number of measurements in the average. Systematic error may be interpreted as a departure from ideal gas behavior. In addition, we show how to combine measurements from different experiments in an unbiased way in order to maximize the entropy of simultaneous parameter fitting. We suggest that fit parameters may be interpreted as generalized coordinates and the forces conjugate to them may be derived from the system partition function. From this perspective, the parameter fitting problem may be interpreted as a process where the system (spectrum) does work against internal stresses (non-optimum model parameters) to achieve a state of minimum free energy/maximum entropy. Finally, we show how the distribution function allows us to define a geometry on parameter space, building on previous work[1, 2]. This geometry has implications for error estimation and we outline a program for incorporating these geometrical insights into an automated parameter fitting algorithm.

Entities:  

Year:  2011        PMID: 21927520      PMCID: PMC3170718          DOI: 10.1063/1.3573638

Source DB:  PubMed          Journal:  AIP Conf Proc        ISSN: 0094-243X


  3 in total

1.  Fourier-transform EPR at high-field/high-frequency (3.4 T/95 GHz) using broadband stochastic microwave excitation.

Authors:  M Fuhs; T Prisner; K Möbius
Journal:  J Magn Reson       Date:  2001-03       Impact factor: 2.229

2.  Magnetic Resonance Spectra and Statistical Geometry.

Authors:  Keith A Earle; Laxman Mainali; Indra Dev Sahu; David J Schneider
Journal:  Appl Magn Reson       Date:  2010-01-01       Impact factor: 0.831

3.  Multifrequency electron spin resonance study of the dynamics of spin labeled T4 lysozyme.

Authors:  Ziwei Zhang; Mark R Fleissner; Dmitriy S Tipikin; Zhichun Liang; Jozef K Moscicki; Keith A Earle; Wayne L Hubbell; Jack H Freed
Journal:  J Phys Chem B       Date:  2010-04-29       Impact factor: 2.991

  3 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.