Least-squares numerical Rayleigh-Ritz and minimum-variance methods for molecular calculations

1985 ◽  
Vol 28 (4) ◽  
pp. 535-551 ◽  
Author(s):  
B. T. Thole
Author(s):  
Parisa Torkaman

The generalized inverted exponential distribution is introduced as a lifetime model with good statistical properties. This paper, the estimation of the probability density function and the cumulative distribution function of with five different estimation methods: uniformly minimum variance unbiased(UMVU), maximum likelihood(ML), least squares(LS), weighted least squares (WLS) and percentile(PC) estimators are considered. The performance of these estimation procedures, based on the mean squared error (MSE) by numerical simulations are compared. Simulation studies express that the UMVU estimator performs better than others and when the sample size is large enough the ML and UMVU estimators are almost equivalent and efficient than LS, WLS and PC. Finally, the result using a real data set are analyzed.


2020 ◽  
Vol 123 ◽  
pp. 191-216 ◽  
Author(s):  
Chandan Gautam ◽  
Pratik K. Mishra ◽  
Aruna Tiwari ◽  
Bharat Richhariya ◽  
Hari Mohan Pandey ◽  
...  

Physics ◽  
2020 ◽  
Vol 2 (4) ◽  
pp. 608-623
Author(s):  
Gregorio Landi ◽  
Giovanni E. Landi

A standard criterium in statistics is to define an optimal estimator as the one with the minimum variance. Thus, the optimality is proved with inequality among variances of competing estimators. The demonstrations of inequalities among estimators are essentially based on the Cramer, Rao and Frechet methods. They require special analytical properties of the probability functions, globally indicated as regular models. With an extension of the Cramer–Rao–Frechet inequalities and Gaussian distributions, it was proved the optimality (efficiency) of the heteroscedastic estimators compared to any other linear estimator. However, the Gaussian distributions are a too restrictive selection to cover all the realistic properties of track fitting. Therefore, a well-grounded set of inequalities must overtake the limitations to regular models. Hence, the inequalities for least-squares estimators are generalized to any model of probabilities. The new inequalities confirm the results obtained for the Gaussian distributions and generalize them to any irregular or regular model. Estimators for straight and curved tracks are considered. The second part deals with the shapes of the distributions of simplified heteroscedastic track models, reconstructed with optimal estimators and the standard (non-optimal) estimators. A comparison among the distributions of these different estimators shows the large loss in resolution of the standard least-squares estimators.


1991 ◽  
Vol 7 (1) ◽  
pp. 1-21 ◽  
Author(s):  
Pentti Saikkonen

An asymptotic optimality theory for the estimation of cointegration regressions is developed in this paper. The theory applies to a reasonably wide class of estimators without making any specific assumptions about the probability distribution or short-run dynamics of the data-generating process. Due to the nonstandard nature of the estimation problem, the conventional minimum variance criterion does not provide a convenient measure of asymptotic efficiency. An alternative criterion, based on the concentration or peakedness of the limiting distribution of an estimator, is therefore adopted. The limiting distribution of estimators with maximum asymptotic efficiency is characterized in the paper and used to discuss the optimality of some known estimators. A new asymptotically efficient estimator is also introduced. This estimator is obtained from the ordinary least-squares estimator by a time domain correction which is nonparametric in the sense that no assumption of a finite parameter model is required. The estimator can be computed with least squares without any initial estimations.


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