CompSciWeek11
From Predictive Chemistry
Class 1
- Tensor Manipulations - distance distributions in random point set exercise
- Rodrigues' 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
