Enhanced Line Search Improves Robustness and Efficiency of Pose Sampling in Protein–Ligand Docking
Journal of Chemical Theory and Computation (ACS), 2026. DOI: 10.1021/acs.jctc.6c01110.
Research
Publications
Peer-reviewed articles and preprints by Morteza Kimiaei, with clearly marked links to papers, preprints, and accompanying MATLAB code.
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2026
3 publicationsTowards Real Time Control of Water Engineering with Nonlinear Hyperbolic Partial Differential Equations.
Accepted for publication in the Journal of Computational Science: June 19, 2026.
Restarting two-term nonlinear conjugate gradient methods based on a finite precision arithmetic analysis.
Journal of Computational and Applied Mathematics (Elsevier), 488 (2026), 117856.
2025
3 publicationsHeuristic methods for noisy derivative-free bound-constrained mixed-integer optimization
Mathematical Programming Computation (Springer), 17 (2025), 505–546.
An improved randomized algorithm with noise level tuning for large-scale noisy unconstrained DFO problems
Numerical Algorithms (Springer), 111 (2025), 565–603.
subspace inertial method for derivative-free nonlinear monotone equations
Optimization (Taylor & Francis), 74(2) (2025), 269-296.
2024
5 publicationsWorst case complexity bounds for linesearch-type derivative-free algorithms
Journal of Optimization Theory and Applications (Springer), 203 (2024), 419-454.
Effective matrix adaptation strategy for noisy derivative-free optimization
Mathematical Programming Computation (Springer), 16 (2024), 459-501.
An active set method for bound-constrained optimization
Optimization Methods and Software (Taylor & Francis), 39(6) (2024), 1216-1240.
An improvement of the Goldstein line search
Optimization Letters (Springer) 18 (2024), 1313-1333.
Globally linearly convergent nonlinear conjugate gradients without Wolfe line search
Numerical Algorithms (Springer) 97 (2024), 1607-1633.
2023
2 publicationsNew subspace method for unconstrained derivative-free optimization
ACM Transactions on Mathematical Software (ACM Journals), 49(4) (2023), 1-25.
A new black box method for monotone nonlinear equations
Optimization (Taylor & Francis), 72(5) (2023), 1119-1137.
2022
4 publicationsEfficient unconstrained black box optimization
Mathematical Programming Computation (Springer), 14 (2022), 271-318.
A limited memory for unconstrained nonlinear least squares
Soft Computing (Springer), 26 (2022), 465-490.
LMBOPT - a limited memory method for bound-constrained optimization
Mathematical Programming Computation (Springer), 14 (2022), 271-318.
An active set trust region method for bound constrained optimization
Bulletin of the Iranian Mathematical Society (Springer), 48 (2022), 1721-1745.
2021
1 publicationA trust-region method using extended nonmonotone technique for unconstrained optimization
Iranian Journal of Mathematical Sciences and Informatics (IJMSI) 16(1) (2021), 15-33.
2019
4 publicationsA new nonmonotone line-search adaptive trust-region approach for nonlinear systems
TOP (Springer), 27(2) (2019), 199-232.
Impulse noise removal by an adaptive trust-region method
Soft Computing (Springer), 23 (2019), 11901-11923.
A nonmonotone pattern search approach for systems of nonlinear equations
International Journal of Computer Mathematics (Taylor & Francis), 91(6) (2019), 33-50.
A new generalized shrinkage conjugate gradient method for sparse recovery
Calcolo (Springer), 56(1) (2019).
2018
3 publicationsNonmonotone self-adaptive Levenberg-Marquardt approach for solving systems of nonlinear equations
Numerical Functional Analysis and Optimization (Taylor & Francis), 39(1) (2018), 47-66.
Combining line search and trust-region methods for ℓ 1 -minimization
International Journal of Computer Mathematics (Taylor & Francis), 95(10) (2018), 1950-1972.
Extended Dai-Yuan conjugate gradient strategy for large-scale unconstrained optimization with applications to compressive sensing
FILOMAT , 32(6) (2018), 2173-2191.
2017
3 publicationsA new restarting adaptive trust-region method for unconstrained optimization
Journal of the Operations Research Society of China (Springer), 5(4) (2017), 487-507.
A Barzilai Borwein adaptive trust-Region method for solving systems of nonlinear equation
International Journal of Research in Industrial Engineering, 6(4) (2017), 339-349.
A new class of nonmonotone adaptive trust-region method for nonlinear equations with box constrained
Calcolo (Springer), 54(3) (2017), 769-812.
2016
6 publicationsA line search trust-region algorithm with nonmonotone adaptive radius for solving systems of nonlinear equations
4OR (Springer),14(2) (2016), 133-152.
A nonmonotone trust-region-approach with nonmonotone adaptive radius for nonlinear systems
Iranian Journal of Numerical Analysis and Optimization, 6(1) (2016), 101-121.
A limited memory quasi-Newton trust-region method for box constrained optimization
Computational and Applied Mathematics (Elsevier), 303 (2016), 105-118.
A trust-region method with improved adaptive radius for systems of nonlinear equations
Mathematical Methods of Operations Research (Springer), 83 (2016), 109-105.
A trust-region approach with novel filter adaptive radius for systems of nonlinear equations
Numerical Algorithms (Springer), 73(4) (2016), 999-1016.
Impulse noise removal based on new hybrid spectral conjugate gradient approach
KYBERNETIKA (The Czech Academy of Sciences), 52(5) (2016), 791-823.
2015
4 publicationsA limited memory trust-region method with adaptive radius for large-scale unconstrained optimization
Bulletin of the Iranian Mathematical Society (Springer), 42(4) (2015), 819-837.
An efficient implementation of a trust region method for box constrained optimization
Journal of Applied Mathematics and Computing (Springer), 48 (2015), 495--517.
A globally convergent trust-region method for large-scale symmetric nonlinear systems
Numerical Functional Analysis and Optimization (Taylor & Francis), 36 (2015), 830-855.
An efficient adaptive trust-region method for systems of nonlinear equations
International Journal of Computer Mathematics (Taylor & Francis), 92(1)(2015), 151-166.
2014
2 publicationsAn improved adaptive trust-region method for unconstrained optimization
Mathematical Modelling and Analysis (Taylor & Francis), 19(4) (2014), 469-490.
A new adaptive trust-region method for systems of nonlinear equations
Applied Mathematical Modelling (Elsevier), 38(11-12) (2014), 3003-3015.
2013
1 publicationAn effiective trust-region-based approach for symmetric nonlinear systems
International Journal of Computer Mathematics (Taylor & Francis), 90 (3) (2013), 671-690.
2012
1 publicationA fixed point method for convex systems
Applied Mathematics , 3 (2012), 1327-1333.
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