Abstract
Lattice-gas cellular automata (LGCAs) can serve as stochastic mathematical models for collective behavior (e.g. pattern formation) emerging in populations of interacting cells. In this paper, a two-phase optimization algorithm for global parameter estimation in LGCA models is presented. In the first phase, local minima are identified through gradient-based optimization. Algorithmic differentiation is adopted to calculate the necessary gradient information. In the second phase, for global optimization of the parameter set, a multi-level single-linkage method is used. As an example, the parameter estimation algorithm is applied to a LGCA model for early in vitro angiogenic pattern formation.
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Adams R, Alitalo K (2007) Molecular regulation of angiogenesis and lymphangiogenesis. Nat Rev Mol Cell Biol 8(6): 464–478
Alber M, Kiskowski M, Jiang Y (2004) Lattice gas cellular automata model for rippling in myxobacteria. Physica D 191: 343
Ali M, Storey C (1994) Topographical multilevel single linkage. J Global Optim 5: 349–358
Beikasim S, Shridhar M, Ahmadi M (1991) Pattern recognition with moment invariants: a comparative study and new results. Pattern Recognit 24(12): 1117–1138
Bentoutou Y, Taleb N, Mezouar MCE, Taleb M, Jetto L (2002) An invariant approach for image registration in digital subtraction angiography. Pattern Recognit 35(12): 2853–2865
Carmeliet P (2003) Angiogenesis in health and disease. Nat Med 9(6): 653–660
Carmeliet P, Jain R (2000) Angiogenesis in cancer and other diseases. Nature 407: 249–257
Cerny V (1985) Thermodynamical approach to the traveling salesman problem: an efficient simulation algorithm. J Optim Theory Appl 45(1): 41–51
Chaplain M, McDougall S, Anderson A (2006) Mathematical modeling of tumor-induced angiogenesis. Ann Rev Biomed Eng 8: 233–257
Chappell J, Taylor S, Ferrara N, Bautch V (2009) Local guidance of emerging vessel sprouts requires soluble FLT-1. Dev Cell 17(15): 377–386
Dennis J, Moree J (1977) Quasi-Newton methods, motivation and theory. SIAM Rev 19(1): 46–89
Deutsch A, Dormann S (2005) Cellular automaton modeling of biological pattern formation. Birkhauser, Boston
Drasdo D, Kree R, McCaskill J (1995) A Monte Carlo approach to tissue cell populations. Phys Rev Lett E 52(6): 6635–6657
Flouda, C, Pardalos, P (eds) (2000) Optimization in computational chemistry and molecular biology. Kluwer Academic Publishers, Amsterdam
Flusser J, Suk T (1993) Pattern recognition by affine moment invariants. Pattern Recognit 26(1): 167–174
Frisch U, Hasslacher B, Pomeau Y (1986) Lattice-gas automata for the Navier–Stokes equation. Phys Rev Lett 56(14): 1505–1508
Gerhardt H, Golding M, Fruttiger M, Ruhrberg C, Lundkvist A, Abramsson A, Jeltsch M, Mitchell C, Alitalo K, Shima D, Betsholtz C (2003) VEGF guides angiogenic sprouting utilizing endothelial tip cell filopodia. J Cell Biol 161(6): 1163–1177
Goldberg D (1989) Genetic algorithms in search, optimization and machine learning. Addison-Wesley Longman Publishing, London
Griewank A (2000) Evaluating derivatives. SIAM, Philadelphia
Griewank A, Juedes D, Utke J (1996) Algorithm 755: ADOL-C—a package for the automatic differentiation of algorithms written in C/C++. ACM Trans Math Software 22(2): 131–167
Hastings W (1970) Monte Carlo sampling methods using Markov chains and their applications. Biometrika 57(1): 97–109
Hatzikirou H, Deutsch A (2008) Cellular automata as microscopic models of cell migration in heterogeneous environments. Curr Top Dev Biol 81: 401–434
Hatzikirou H, Brusch L, Deutsch A (2010a) From cellular automaton rules to an effective macroscopic mean-field description. Acta Phys Pol B Proc Suppl 3: 399–416
Hatzikirou H, Brusch L, Schaller C, Simon M, Deutsch A (2010b) Prediction of traveling front behavior in a lattice-gas cellular automaton model for tumor invasion. Comput Math Appl 59(7): 2326–2339
Horst R, Pardalos P (1995) Handbook of global optimization. Kluwer Academic Publishers, Amsterdam
Hynes R (2002) A reevaluation of integrins as regulators of angiogenesis. Nat Med 8(9): 918–922
Jackson C (2002) Matrix metalloproteinases and angiogenesis. Curr Opin Nephrol Hypertens 11(3): 295–299
Kirkpatrick S, Gelatt C, Vecchi M (1983) Optimization by simulated annealing. Science 220(4598): 671–680
Likas A, Vlassis N, Verbeek J (2003) The global k-means clustering algorithm. Pattern Recognit 36: 451–461
Meinhardt H (1982) Models of biological pattern formation. Academic Press, London
Mendes P, Kell D (1998) Non-linear optimization of biochemical pathways: applications to metabolic engineering and parameter estimation. Bioinformatics 14(10): 869–883
Metropolis N, Rosenbluth A, Rosenbluth M, Teller A (1953) Equation of state calculations by fast computing machines. J Chem Phys 21(6): 1087–1092
Mitchell M, Crutchfield J, Das R (1996) Evolving cellular automata with genetic algorithms: a review of recent work. In: Goodman E (ed) Proceedings of the first international conference on evolutionary computation and its applications. Russian Academy of Sciences, Moscow
More J, Thuente D (1994) Line search algorithms with guaranteed sufficient decrease. ACM Trans Math Software 20(3): 286–307
Nehls V, Drenckhahn D (1995) A novel, microcarrier-based in vitro assay for rapid and reliable quantification of three-dimensional cell migration and angiogenesis. Microvasc Res 3(50): 311–322
Pepper M (2001) Extracellular proteolysis and angiogenesis. J Thromb Haemost 1(86): 346–355
Polak E (1997) Optimization, algorithms and consistent approximations. Springer, New York
Rinnooy-Kan A, Timmer G (1987a) Stochastic global optimization methods. I. Clustering methods. Math Program 39: 27–56
Rinnooy-Kan A, Timmer G (1987b) Stochastic global optimization methods. II. Multi level methods. Math Program 39: 57–78
Rodriguez-Fernandez M, Mendes P, Banga J (2005) A hybrid approach for efficient and robust parameter estimation in biochemical pathways. BioSystems 83: 248–265
Schatzman M (2002) Numerical analysis: a mathematical introduction. Oxford University Press, Oxford
Sharapov R, Lapshin A (2006) Convergence of genetic algorithms. Math T Pattern Recognit 16(3): 392–397
Turing A (1952) The chemical basis of morphogenesis. Phil Trans R Soc London 237: 37–72
Vlcek J, Luksan L (2006) Shifted limited-memory variable metric methods for large-scale unconstrained optimization. J Comput Appl Math 186(2): 365–390
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Mente, C., Prade, I., Brusch, L. et al. Parameter estimation with a novel gradient-based optimization method for biological lattice-gas cellular automaton models. J. Math. Biol. 63, 173–200 (2011). https://doi.org/10.1007/s00285-010-0366-4
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DOI: https://doi.org/10.1007/s00285-010-0366-4
Keywords
- Lattice-gas cellular automata
- Parameter estimation
- Algorithmic differentiation
- Angiogenic pattern formation