The Global Minimum Problem in Molecular Mechanics: Simulated Annealing and Related Techniques

1994 ◽  
pp. 89-136
Author(s):  
S. D. Morley
Keyword(s):  
Simulated Annealing ◽  
Molecular Mechanics ◽  
Global Minimum ◽  
Minimum Problem

Hybrid phase retrieval algorithm based on modified very fast simulated annealing

2018 ◽  
Vol 10 (9) ◽  
pp. 1072-1080 ◽  
Author(s):  
Yueshu Xu ◽  
Qian Ye ◽  
Guoxiang Meng
Keyword(s):  
Simulated Annealing ◽  
High Speed ◽  
Phase Retrieval ◽  
Global Minimum ◽  
High Efficiency ◽  
Surface Deformation ◽  
Digital Simulation ◽  
Retrieval Algorithm ◽  
Very Fast Simulated Annealing ◽  
Short Time

AbstractThe Misell algorithm is one of the most widely used phase retrieval holography methods for large reflector antennas to measure surface deformation. However, it usually locks in a local minimum because it heads downhill from an initial estimation without any consideration whether it heads for a global minimum or not. The core problem of the Misell algorithm is to find an initial estimation near the global minimum to avoid local stagnation. To cope with the problem, we construct a hybrid Misell algorithm, named modified very fast simulated annealing (MVFSA)-Misell algorithm, to search for the global minimum with a high efficiency. The algorithm is based on the combination of the MVFSA algorithm and Misell algorithm. Firstly, the MVFSA is utilized to obtain a rough position near the global minimum in limited steps. Then, the Misell algorithm starts from the rough position to converge to the global minimum with high speed and accuracy. The convergence characteristic of the proposed algorithm was discussed in detail through digital simulation. Simulation results show that the algorithm can reach global minimum in a very short time. Unlike the traditional Misell algorithm, the hybrid algorithm is not influenced by initial phase estimation.

The application of simulated annealing to problems of molecular mechanics

1988 ◽  
Vol 34 (S22) ◽  
pp. 611-617 ◽  
Author(s):  
Jules W. Moskowitz ◽  
K. E. Schmidt ◽  
S. R. Wilson ◽  
W. Cui
Keyword(s):  
Simulated Annealing ◽  
Molecular Mechanics

Convergence theorems for a class of simulated annealing algorithms on ℝd

1992 ◽  
Vol 29 (4) ◽  
pp. 885-895 ◽  
Author(s):  
Claude J. P. Bélisle
Keyword(s):  
Simulated Annealing ◽  
Global Minimum ◽  
Almost Sure Convergence ◽  
Convergence In Probability ◽  
Global Minimization ◽  
Absolutely Continuous ◽  
Mild Conditions ◽  
Cooling Schedule ◽  
Annealing Algorithms ◽  
Uniformly Bounded

We study a class of simulated annealing algorithms for global minimization of a continuous function defined on a subset of We consider the case where the selection Markov kernel is absolutely continuous and has a density which is uniformly bounded away from 0. This class includes certain simulated annealing algorithms recently introduced by various authors. We show that, under mild conditions, the sequence of states generated by these algorithms converges in probability to the global minimum of the function. Unlike most previous studies where the cooling schedule is deterministic, our cooling schedule is allowed to be adaptive. We also address the issue of almost sure convergence versus convergence in probability.

Soccer robot path planning based on the artificial potential field approach with simulated annealing

Robotica ◽  
2004 ◽  
Vol 22 (5) ◽  
pp. 563-566 ◽  
Author(s):  
Pei-Yan Zhang ◽  
Tian-Sheng Lü ◽  
Li-Bo Song
Keyword(s):  
Simulated Annealing ◽  
Path Planning ◽  
Simulated Annealing Algorithm ◽  
Minimum Problem ◽  
Planning Problem ◽  
Soccer Robot ◽  
Annealing Algorithm ◽  
Local Minimum Problem ◽  
Path Planning Problem ◽  
Robot Path

The paper presents research on the APF approach for solving the GNRON and local minima problems. The repulsive potential function is modified in order to solve the GNRON problem. A simulated annealing algorithm integrated into the APF has solved the local minimum problem. The improved APF is applied to the path-planning problem of soccer robots. The simulated experiments show the validity of this approach.

Simulated Annealing Approach for Global Minimum Verification in Modeling of Pressure-Volume Dependence by Equations of State Obtained by High-Pressure Diffraction

2010 ◽  
Vol 651 ◽  
pp. 71-77
Author(s):  
Ivan Halasz ◽  
Robert E. Dinnebier
Keyword(s):  
High Pressure ◽  
Simulated Annealing ◽  
Global Minimum ◽  
Equations Of State ◽  
Optimization Method ◽  
Variable Pressure ◽  
Pressure Data ◽  
Data Set ◽  
Volume Dependence

A simulated annealing like optimization method has been successfully applied for the determination of global minimum of equation of state (EoS) parameters. The approach is tested using the program TOPAS on a high precision variable pressure data set of quartz [R.J. Angel, D.R. Allan, R. Miletich, L.W. Finger: J. Appl. Cryst. Vol 30 (1997) p. 461] It is evidenced that least-squares refinement finds the global minimum for all EoS except for the Birch-Murnaghan EoS of fourth order for which it is shown that a clearly distinguished global minimum does not exist, at least for the used data set. The method presented herein serves as a fast test for the global minimum verification for the EoS parameters but should be applicable also to other optimisation problems.

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