--- Rachel Alcraft, Bioinformatics ---

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Psu Multivarse

A multivariate interpolation library


Library Description

This library provides a simple interface to multivariate interpolation for values and partial derivatives. Two methods are employed:

The speed that these algorithms work at is: Linear time?? Quadratic time?? How do I calculate that?


The problem

Interpolating sequences and data in 3d cubes eg electron density. Creating an f(x,y,z). Finding the partial derivatives.


Theorem 1: There is an invariant solution for a polynomial fitting a given degree and dimension

Conclusion: The constant matrices can be precalculated making a time efficient solution to interpolation.


Partial differentiation

The coefficients matrix can be differentiated by a simple matrix manipulation


Theorem 2: Partial differentation of the multivariate function is equivalent to differentiation of a tri-polynomial solution

Conclusion: The dimensional problem inherent in matrices can be solved by using a tri-directional polynomial fit.


Some of the invariant matrices


Code documentation

  • MatrixInvariant.py This calculates the invariant matrix only once per session by a singleton pattern
  • MultiSolver.py This uses the matrix solution, creating a multivariate function
  • PolySolver.py This uses a recursive 1 dimensional solution to calculate 3 polynomials for each point.

  • References


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