A fast Newton algorithm for entropy maximization in phase determination

DOI10.1137/S0036144500371737MaRDI QIDQ2780622zbMATH OpenOpenAlexFDO

Authors Zhijun Wu, George N. Phillips, Richard Tapia, Yin Zhang

Publication date 15 April 2002

Published in SIAM Review (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1137/s0036144500371737

zbMATH Keywords

algorithmconvolutionentropy maximizationFourier transformNewton's methodnumerical examplesprotein structure determinationX-ray crystallography

Mathematics Subject Classification ID

Bayesian problems; characterization of Bayes procedures (62C10) Numerical computation of solutions to systems of equations (65H10) Numerical mathematical programming methods (65K05) Convex programming (90C25) Nonlinear programming (90C30) Semi-infinite programming (90C34) Biophysics (92C05) Biochemistry, molecular biology (92C40) Biomedical imaging and signal processing (92C55)

Review text

The authors study the entropy maximization problem in the Bayesian statistical approach to the phase problem of X-ray crystallography. The entropy maximization problem is a semi-infinite convex program and can be solved in a finite dual space by using a standard Newton method. This Newton method is too expensive for this application. Therefore, a fast Newton algorithm is presented. Computational results are given.

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Cited in

(12)

• The multidimensional moment-constrained maximum entropy problem: A BFGS algorithm with constraint scaling
• An equation-by-equation method for solving the multidimensional moment constrained maximum entropy problem
• Symbolic phase transfer entropy method and its application
• An improved algorithm for the multidimensional moment-constrained maximum entropy problem
• A practical computational framework for the multidimensional moment-constrained maximum entropy principle
• Entropy optimization in phase determination with linear inequality constraints
• scientific article; zbMATH DE number 3936359 (Why is no real title available?)
• QUANTIFYING PREDICTABILITY IN A SIMPLE MODEL WITH COMPLEX FEATURES
• A fast Newton method for entropy maximization in statistical phase estimation
• An integer programming approach to the phase problem for centrosymmetric structures
• Statistical approach to the phase problem
• A Sherman-Morrison approach to the solution of linear systems

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