Difference between revisions of "CompSciWeek11"

From Predictive Chemistry
Jump to: navigation, search
(Created page with "= Class 1 = * Tensor Manipulations - distance distributions in random point set exercise ** [http://docs.scipy.org/doc/scipy-0.14.0/reference/generated/scipy.spatial.distance.pdi…")
(No difference)

Revision as of 13:24, 3 November 2014

Class 1

  • Tensor Manipulations - distance distributions in random point set exercise
  • Rodriguez' Rotation Formula - the preferred method when you have to work with an angle.
  • Matrix Multiplication
    • Basic linear algebra operations
    • Timing Strassen (see also Winograd)

Class 2

  • Implicit solutions to linear algebraic equations
    • Least-squares fitting
    • Repetition for point sets - project out and re-fit
    • Review projection and orthogonality (see also Gram-Schmidt)
    • Solution by factorization + forward / reverse substitution
  • Minimization the hard way - nonlinear problems Optimize
    • Transcendental problem, 5th order polynomials, etc.
    • Geodesic paths via numerical optimization