Multi-agent simulated annealing algorithm based on differential perturbation for protein structure prediction problems

Simulated annealing SA algorithm is extremely slow in convergence, and the implementation and efficiency of parallel SA algorithms are typically problem-dependent. To overcome such intrinsic limitations, this paper presents a multi-agent SA MSA algorithm to address protein structure prediction problems based on the 2D off-lattice model. Inspired by the learning ability of the mutation operators in differential evolution algorithm, three differential perturbation DP operators are defined to generate candidate solutions collaboratively. This paper also analyses the effect of different sampling grain, which determines how many dimensions will be perturbed when a candidate solution is generated. The proposed MSA algorithm can achieve better intensification ability by taking advantage of the learning ability from DP operators, which can adjust its neighbourhood structure adaptively. Simulation experiments were carried on four artificial Fibonacci sequences, and the results show that the performance of MSA algorithm is promising.

[1]  Kai Zhao,et al.  Solving the traveling salesman problem based on an adaptive simulated annealing algorithm with greedy search , 2011, Appl. Soft Comput..

[2]  Faming Liang,et al.  Annealing contour Monte Carlo algorithm for structure optimization in an off-lattice protein model. , 2004, The Journal of chemical physics.

[3]  Lu Yihui,et al.  Automated antenna design using paralleled differential evolution algorithm , 2012 .

[4]  Jooyoung Lee,et al.  Structure optimization by conformational space annealing in an off-lattice protein model. , 2005, Physical review. E, Statistical, nonlinear, and soft matter physics.

[5]  Heitor Silvério Lopes,et al.  A differential evolution approach for protein structure optimisation using a 2D off-lattice model , 2010, Int. J. Bio Inspired Comput..

[6]  LINET ÖZDAMAR,et al.  New Simulated Annealing Algorithms for Constrained Optimization , 2010, Asia Pac. J. Oper. Res..

[7]  Aimo Törn,et al.  Parallel continuous simulated annealing for global optimization simulated annealing , 2000 .

[8]  A. Abraham,et al.  Simplex Differential Evolution , 2009 .

[9]  Saeed Zolfaghari,et al.  Adaptive temperature control for simulated annealing: a comparative study , 2004, Comput. Oper. Res..

[10]  Pascal Van Hentenryck,et al.  On Lattice Protein Structure Prediction Revisited , 2011, IEEE/ACM Transactions on Computational Biology and Bioinformatics.

[11]  Sami Viitanen,et al.  Parallel Continuous Simulated Annealing for Global Optimization , 1996 .

[12]  V. Cerný Thermodynamical approach to the traveling salesman problem: An efficient simulation algorithm , 1985 .

[13]  C. D. Gelatt,et al.  Optimization by Simulated Annealing , 1983, Science.

[14]  Hui Zhang,et al.  Multi-agent simulated annealing algorithm based on differential evolution algorithm , 2012, Int. J. Bio Inspired Comput..

[15]  Masao Fukushima,et al.  Hybrid simulated annealing and direct search method for nonlinear unconstrained global optimization , 2002, Optim. Methods Softw..

[16]  Ville Tirronen,et al.  Recent advances in differential evolution: a survey and experimental analysis , 2010, Artificial Intelligence Review.

[17]  Yiwen Zhong,et al.  Multi-Agent Simulated Annealing Algorithm Based on Particle Swarm Optimization Algorithm for Protein Structure Prediction , 2013 .

[18]  Head-Gordon,et al.  Toy model for protein folding. , 1993, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.

[19]  Russell C. Eberhart,et al.  A new optimizer using particle swarm theory , 1995, MHS'95. Proceedings of the Sixth International Symposium on Micro Machine and Human Science.

[20]  Xin-She Yang,et al.  Engineering optimisation by cuckoo search , 2010, Int. J. Math. Model. Numer. Optimisation.

[21]  Sanyou Zeng,et al.  Generalised opposition-based differential evolution: an experimental study , 2012, Int. J. Comput. Appl. Technol..

[22]  Xin-She Yang,et al.  Cuckoo Search via Lévy flights , 2009, 2009 World Congress on Nature & Biologically Inspired Computing (NaBIC).

[23]  Xiaolong Zhang,et al.  Protein Folding Prediction Using an Improved Genetic-Annealing Algorithm , 2006, Australian Conference on Artificial Intelligence.

[24]  Feng Shi,et al.  Analysis of Toy Model for Protein Folding Based on Particle Swarm Optimization Algorithm , 2005, ICNC.

[25]  David E. Goldberg,et al.  Genetic Algorithms in Search Optimization and Machine Learning , 1988 .

[26]  Sheldon Howard Jacobson,et al.  The Theory and Practice of Simulated Annealing , 2003, Handbook of Metaheuristics.

[27]  S. M. H. Seyedkashi,et al.  New Simulated Annealing Algorithm for Quadratic Assignment Problem , 2010 .

[28]  Wen Wei Stochastic perturbation PSO algorithm for Toy model-based protein folding problem , 2011 .

[29]  Xin-She Yang,et al.  Firefly Algorithms for Multimodal Optimization , 2009, SAGA.

[30]  Linet Özdamar,et al.  Investigating a hybrid simulated annealing and local search algorithm for constrained optimization , 2008, Eur. J. Oper. Res..

[31]  James Kennedy,et al.  Particle swarm optimization , 1995, Proceedings of ICNN'95 - International Conference on Neural Networks.

[32]  Jing Wang,et al.  An enhanced differential evolution algorithm for solving large scale optimisation problems on graphics hardware , 2013, Int. J. Comput. Appl. Technol..

[33]  Zhao Xinchao,et al.  Simulated annealing algorithm with adaptive neighborhood , 2011 .

[34]  Richard W. Eglese,et al.  Simulated annealing: A tool for operational research , 1990 .

[35]  K. Dill Theory for the folding and stability of globular proteins. , 1985, Biochemistry.

[36]  Xin Chen,et al.  An Improved Particle Swarm Optimization for Protein Folding Prediction , 2011 .

[37]  Masao Fukushima,et al.  Derivative-Free Filter Simulated Annealing Method for Constrained Continuous Global Optimization , 2006, J. Glob. Optim..

[38]  Rainer Storn,et al.  Differential Evolution – A Simple and Efficient Heuristic for global Optimization over Continuous Spaces , 1997, J. Glob. Optim..

[39]  Xin-She Yang,et al.  Engineering optimisation by cuckoo search , 2010 .