Numerical methods
Examine floating-point behavior and reference calculations.
Questions to work through.
Find a numerical failure before trusting an experiment
Does an apparently sensible floating-point answer survive a separately formulated reference calculation?
Open the brief RESEARCH BRIEF · 7 SOURCESSeparate a solver's stopping signal from solution accuracy
When does a tiny residual or smaller step fail to imply a more accurate scientific result?
Open the briefExplore the sources.
All 71 resources →NumPy
Multidimensional array operations and numerical linear algebra for scientific Python.
SciPy
Numerical routines for integration, differential equations, optimization, transforms, and statistical analysis.
[Re] Curve-Fitting with Piecewise Parametric Cubics
A replication of piecewise parametric cubic curve fitting, useful for studying how a geometric approximation is constructed and checked.
[Re] Learning Neural PDE Solvers with Convergence Guarantees ICLR Reproducibility Challenge 2019
A replication of learning-based PDE solvers with convergence guarantees as the target topic.
[Re] Numerical influence of ReLU'(0) on backpropagation
A replication about the numerical influence of the derivative convention for ReLU at zero during backpropagation.
[Re] The principal components of natural images
A Julia replication about principal components of natural images.
[Re] Volume computation for polytopes: Vingt ans après
A C replication about computing volumes of polytopes.
[Re] Weighted Voronoi Stippling
A replication of weighted Voronoi stippling, a geometric method for distributing sample points according to image intensity.
[Rp] Gifa V.4: A complete package for NMR data set processing
A FORTRAN77 reproduction report on the Gifa V.4 NMR data-processing package.
[Rp] Parallelization of an object-oriented FEM dynamics code
A C++ reproduction about parallelizing an object-oriented finite-element dynamics program using OpenMP.
[Rp] Reproduction of interaction second virial coefficient calculation for H₂--CO interactions [J. Chem. Phys. vol. 112, 4417 (2000)]
A Fortran reproduction of a molecular-interaction second-virial-coefficient calculation for hydrogen and carbon monoxide.
[Rp] Structural flexibility in proteins - impact of the crystal environment
A Python reproduction concerning protein structural flexibility and the effect of a crystal environment on normal-mode calculations.