Reproducing-Kernel-Hilbert space

Rosipal R, Trejo LJ. Kernel partial least squares regression in reproducing Kernel Hilbert space. J Machine Learning Res 2001 2 97-123. 

Fitting forms obtained from other motivations such as standard cubic-spline methods. Morse-spline and rotated Morse-spline interpolation methods, reproducing kernel Hilbert space interpolation methods, distributed approximating functionals, and hybrid methods combining spline fits with simple empirical functions. ... 

DMBE) methods. Regarding the interpolation techniques, we focus on the global reproducing kernel Hilbert space method,... 

Rosipal R, Trejo LJ (2002) Kernel partial least squares regression in reproducing Kernel Hilbert Space. J Mach Learn Res 2(2) 97 123. doi 10.1162/15324430260185556 Baskin II, Tikhonova IG, Palyulin VA, Zefirov NS (2003) Selectivity fields comparative molecular field analysis (CoMFA) of the glycine/NMDA and AMPA receptors. J Med Chem 46(19) 4063 069... 

Another general method for constructing PESs from ab initio methods, based on the framework of the reproducing kernel Hilbert space , has recently been proposed. This interpolation method yields globally smooth representations with continuous energies and derivatives. The method has been illustrated for two- and three-atom systems, but can be extended to higher dimensions. 

---