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Parsimonious regularization using genetic algorithms applied to the analysis of analytical ultracentrifugation experiments

Published: 07 July 2007 Publication History

Abstract

Frequently in the physical sciences experimental data are analyzed to determine model parameters using techniques known as parameter estimation. Eliminating the effects of noise from experimental data often involves Tikhonov or Maximum-Entropy regularization. These methods introduce a bias which smoothes the solution. In the problems considered here, the exact answer is sharp, containing a sparse set of parameters. Therefore, it is desirable to find the simplest set of model parameters for the data with an equivalent goodness-of-fit. This paper explains how to bias the solution towards a parsimonious model with a careful application of Genetic Algorithms. A method of representation, initialization and mutation is introduced to efficiently find this model. The results are compared with results from two other methods on simulated data with known content. Our method is shown to be the only one to achieve the desired results. Analysis of Analytical Ultracentrifugation sedimentation velocity experimental data is the primary example application.

References

[1]
H. Akaike. A new look at the statistical model identification. In IEEE Transactions on Automatic Control, volume 19, pages 716--723. IEEE, 1974.
[2]
R. C. Aster, B. Borchers, and C. H. Thurber. Parameter Estimation and Inverse Problems. Elsevier Academic Press, London, 2005.
[3]
E. H. Brookes, R. V. Boppana, and B. Demeler. Computing large sparse multivariate optimization problems with an application in biophysics. In SuperComputing 2006 Conference Proceedings. ACM, IEEE, November 2006.
[4]
E. H. Brookes and B. Demeler. Genetic algorithm optimization for obtaining accurate molecular weight distributions for sedimentation velocity experiments. In Analytical Ultracentrifugation VIII, Progr. Colloid Polym Sci. 131, pages 78--82. Springer-Verlag, 2006.
[5]
P. H. Brown and P. Schuck. Macromolecular size-and-shape distributions by sedimentation velocity analytical ultracentrifugation. Biophysical Journal, 90:4651--4661, June 2006.
[6]
W. Cao and B. Demeler. Modeling analytical ultracentrifugation experiments with an adaptive space-time finite element solution of the lamm equation. In Biophys J., volume 83, pages 1589--1602, 2005.
[7]
J. L. Cole and J. C. Hansen. Analytical ultracentrifugation as a contemporary biomolecular research tool. In J. Biomolecular Techniques, volume 10, pages 163--174, 1999.
[8]
B. Demeler. Hydrodynamic Methods. In Bioinformatics Basics: Applications in Biological Science and Medicine. 2nd Edition, pages 226--255. CRC Press LLC, 2005.
[9]
B. Demeler. UltraScan: A Comprehensive Data Analysis Software Package for Analytical Ultracentrifugation Experiments. In Modern Analytical Ultracentrifugation: Techniques and Methods, pages 210--229. Royal Society of Chemistry, UK, 2005.
[10]
B. Demeler et al. Center for analytical ultracentrifugation of macromolecular assemblies. http://bcf.uthscsa.edu/cauma.
[11]
B. Demeler and K. E. van Holde. Sedimentation velocity analysis of highly heterogeneous systems. In Anal. Biochem., volume 335, pages 279--288, 2004.
[12]
J. H. Holland. Adaptation in Natural and Artificial Systems, 2nd Edition. MIT Press, Cambridge, MA, 1992.
[13]
J. R. Koza. Genetic Programming. MIT Press, Cambridge, MA, 1992.
[14]
O. Lamm. Die differentialgleichung der ultrazentrifugierung. In Ark. Mat. Astrol. Fys., volume 21B, pages 1--4, 1929.
[15]
C. L. Lawson and R. J. Hanson. Solving Least Squares Problems. Prentice Hall, New Jersey, 1974.
[16]
P. Schuck. Size-distribution anal. of macromolecules by sedimentation velocity ultracentrifugation and lamm equation modeling. In Biophys. J., volume 78, pages 1609--1619, 2000.
[17]
P. Schuck and B. Demeler. Direct sedimentation analysis of interference optical data in analytical ultracentrifugation. In Biophys. J., volume 76, pages 2288--2296, 1999.
[18]
K. van Holde. Physical Biochemistry, 2nd Edition. Prentice Hall, New Jersey, 1985.
[19]
D. H. Wolpert and W. G. Macready. No free lunch theorems for optimization. In IEEE Transactions on Evolutionary Computation, volume 1, pages 67--82. IEEE, 1997.

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cover image ACM Conferences
GECCO '07: Proceedings of the 9th annual conference on Genetic and evolutionary computation
July 2007
2313 pages
ISBN:9781595936974
DOI:10.1145/1276958
Permission to make digital or hard copies of all or part of this work for personal or classroom use is granted without fee provided that copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. Copyrights for components of this work owned by others than ACM must be honored. Abstracting with credit is permitted. To copy otherwise, or republish, to post on servers or to redistribute to lists, requires prior specific permission and/or a fee. Request permissions from [email protected]

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Published: 07 July 2007

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Author Tags

  1. analytical ultracentrifugation
  2. genetic algorithm
  3. inverse problem
  4. regularization

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GECCO '07 Paper Acceptance Rate 266 of 577 submissions, 46%;
Overall Acceptance Rate 1,669 of 4,410 submissions, 38%

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