Nearest neighbor estimates of entropy

American Journal of Mathematical and Management Sciences

Volumn 23, Issue 3-4, 2003, Pages 301-321

  Singh, Harshinder ^a,b   Misra, Neeraj ^a,c   Hnizdo, Vladimir ^b   Fedorowicz, Adam ^b   Demchuk, Eugene ^b  

^a WEST VIRGINIA UNIVERSITY   (United States)

^b NATIONAL INSTITUTE FOR OCCUPATIONAL SAFETY AND HEALTH   (United States)

^c INDIAN INSTITUTE OF TECHNOLOGY KANPUR   (India)

Author keywords

Bias; Diethyl ether; Enthalpy; Entropy; Free energy; Internal rotation; Kth nearest neighbor; Methanol; Molecular dynamics simulations; Root mean squared error; Torsional angles

Indexed keywords

COMPUTER SIMULATION; ENTHALPY; ENTROPY; ETHANE; FREE ENERGY; METHANOL; MOLECULAR DYNAMICS; VECTORS;

DIETHYL ETHER; INTERNAL ROTATION;

MANAGEMENT SCIENCE;

EID: 2342511079     PISSN: 01966324     EISSN: None     Source Type: Journal    
DOI: 10.1080/01966324.2003.10737616     Document Type: Article

References (16)

1. Abramowitz, M., & Stegun, A.(1965). Handbook of Mathematical Functions. Dover, New York.
2. Beirlant, J., Dudewicz, E. J., Gyorfi, L., van der Meulen, E. C. (1997). Nonparametric estimation of entropy: An overview. International Journal of Mathematical and Statistical Sciences. 6, 17-39.
3. Chen, B., McCoskey, S.K. & Kao, C. (1999). Estimation and inference of a cointegrated regression in panel data: a Monte Carlo study. American Journal of Mathematical and Management Sciences, 19, 75-114.
4. Cressie, N. (1976). On the logarithms of high-order spacings. Biometrika. 63, 345-355.
5. Demchuk, E. & Singh, H. (2001). Statistical thermodynamics of hindered rotation from computer simulations. Molecular Physics, 99, 627-636.
6. Dobrushin, R. L. (1958). A simple method of empirical estimation of the entropy of a stationary sequence. Teor. Veroyatn. Ee Primen, 3, 462-464.
7. Dudewicz, E.J. & van der Meulen, E.C. (1981). Entropy-based tests of uniformity. Journal of the American Statistical Association. 76, 967-974.
8. nd edition. CRC Press, Boca Raton, FL.
9. Karplus, M. & Kushik, J.N. (1981). Method for estimating the configurational entropy of macromolecules. Macromolecules. 14, 325-332.
10. Kozachenko, L. F. & Leonenko, N. N. (1987). Sample estimates of entropy of a random vector. Problems of Information Transmission. 23, 95-101.
11. rd edition. Oxford: Pergamon.
12. Levy, R.M., Karplus, M., Kushik, J. & Perahia, D. (1984). Evaluation of the configurational entropy for proteins: Application to molecular dynamics simulations of an a-helix. Macromolecules. 17, 1370-1374.
13. Scott, D. (1992). Multivariate Density Estimation: Theory, Practice and Visualization. John Wiley and Sons Inc., New York.
14. Singh, H., Hnizdo, V. & Demchuk, E. (2002). Probabilistic modeling of two dependent circular variables. Biometrika, 89, 719-723.
15. Tsybakov, A. B. & van der Meulen, E. C. (1996). Root-n consistent estimators of entropy for densities with unbounded support. Scandinavian Journal of Statistics. 23, 75-83.
16. Vasicek, O. (1976). On a test for normality based on sample entropy. Journal of Royal Statistical Society, Series B, 38, 54-59