Los puntos de Fekete y el séptimo problema de Smale Grupo VARIDIS: Enrique Bendito, Ángeles Carmona, Andrés Marcos Encinas, Jose Manuel Gesto, Agustín

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Part I: Introduction to the Fekete problem and to the Forces Method

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Los puntos de Fekete y el sptimo problema de Smale Grupo VARIDIS: Enrique Bendito, ngeles Carmona, Andrs Marcos Encinas, Jose Manuel Gesto, Agustn Medina. Deptartamento de Matemtica Aplicada III Outline I.1. The Fekete problem and Smales 7th problem. I.2. The Forces Method on the 2-sphere. II. A numerical-statistical approach to Smales 7th problem. III. The Forces Method on W-compact sets and other extensions. Part I: Introduction to the Fekete problem and to the Forces Method The Fekete problem The search of the regularity: Stone models of the five Platonic polyhedra. They date from about 2000BC and are kept in the Ashmolean Museum in Oxford (figure extracted from a work by Atiyah and Sutcliffe). The Fekete problem Best-packing problem: Maximize the minimum distance between points + constraints. The solutions of this problem define lattices that exhibite a high degree of regularity (many equilateral triangles). (Nurmela) The Fekete problem N. Copernicus ( ) G. Galilei ( ) J. Kepler ( ) I. Newton ( ) The Fekete problem Ch.A. de Coulomb ( ) The Fekete problem Potential energy: Forces field: Equilibrium positions: The Fekete problem J.J. Thomson ( ) The plum-pudding model (1904): Thomsons problem: The Fekete problem A. Einstein ( ) M.K. Planck ( ) W. Heisenberg ( ) N. Bohr ( ) E. Schrdinger ( ) The Fekete problem Molecular Mechanics, Electrostatics, Crystallography, structures of viruses, proteins, bacteri, multi-electron bubbles, microclusters of rare gases Van der Waals interaction: Lennard-Jones energy (Bowick et al.) (Atiyah&Sutcliffe) J.D. van der Waals ( ) The Fekete problem M. Fekete ( ) Transfinite diameter: Logarithmic potential energy: The Fekete problem G. Polya ( ) G. Szeg ( ) O. Frostman ( ) Best-packing problem The Fekete problem Numerical Integration: Polynomial Interpolation: (Hesthaven) The Fekete problem Computer Aided Design: Mesh generation: Visualization of implicitly defined surfaces: (Witkin&Heckbert) (Shimada&Gossard) (Person&Strang) The Fekete problem Logarithmic energy: Newtonian energy: Best-packing problem: General case: Rieszs energies: We call the Fekete problem that of determining the N -tuples of points, that minimize on a compact set a potential energy functional that depends on the relative distances between the N points. The N -tuples are called the Fekete points. Smales 7th problem S. Smale (1930- ) Fields medalist in Personal interests: Complexity Theory and Numerical Analysis (polynomial time algorithms). With M. Shub, he studied the complexity of the problem of finding the roots of a polynomial system. The notion of condition number of a polynomial is crucial in this study. Author of the list Mathematical problems for the XXIth century, presented at the Fields Institute in 1997. Smales 7th problem It is possible to design an algorithm that finds a configuration x of points on the 2-sphere satisfying the condition in time polynomial in N ? Here represents the logarithmic potential energy and are the Fekete points associated with this energy on the 2-sphere. It is known that Smales 7th problem State of the art Massive multiextremality: lots of local minima with very similar energy values. State of the art Massive multiextremality: lots of local minima with very similar energy values. State of the art Erber&Hockney for State of the art The energy of the global minimum (the Fekete points) is unknown: few theoretical results. Potential Theory: Zhou: numerical results for Rakhmanov, Saff and Zhou: State of the art The computation of a local minimum is a highly non-linear optimization problem with constraints: the use of numerical methods is necessary. No general results about convergence, stability, robustness and computational cost have been published. Many algorithms have been used: Classic Optimization Algorithms (Relaxation, Gradient, Conjugate Gradient, Newton, quasi-Newton), Combinatorial Optimization Methods (Simulated Annealing, Genetic Algorithms), ODE integrators (Runge-Kutta, simplectic integrators). Most of the research has focused on the case of the 2-sphere and. Recently some authors have presented configurations for thousands of points. The spiral points: Rakhmanov, Saff and Zhou. State of the art The Forces Method + return algorithm The algorithm: Disequilibrium degree: The Forces Method + return algorithm The algorithm: Convergence curve: Numerical experiments The cost of a local minimum Cost at each step: the logarithmic energy requires only elementary operations for the actualization of the forces (O(N 2 ) operations), since it is not necessary to compute the energy. The cost of a local minimum The energy The line-search procedure: minimize the energy in the advance direction. MareNostrum ( hours): for N=10 7, a total of 400 steps from a difficult starting position (10080 CPUs working in parallel). Large scale experiments The cluster Clonetroop ( hours): numerical experiments to study the properties of the Forces Method and the first 2 10 6 data for Smales 7th problem. The FinisTerrae challenge ( hours): I. The cost of a local minimum ( hours): -For N=10000, a total of 1000 runs attaining an error of For N=20000, a total of 100 runs attaining an error of 5 For N=50000, a total of 10 runs attaining an error of II. Robustness (40000 hours, 1024 CPUs working in parallel): -For N=10 6, a total of 3000 steps from a delta starting position. III. Sample information for Smales 7th problem ( hours): -Almost 5.1 10 7 runs for different N between 300 and 1000. Large scale experiments The FinisTerrae challenge MareNostrum