A TT-eigenvalue solver that finally works

26/05/2016

In a recent preprint by Maxim Rakhuba and Ivan Oseledets we propose a new algorithm for calculation of vibrational spectra of molecules using tensor train decomposition. Under the assumption that eigenfunctions lie on a low-parametric manifold of low-rank tensors we introduce the concept of manifold preconditioning of well-known iterative methods (inverse iteration and locally optimal block conjugate gradient method). As an application, we accurately compute vibrational spectra (84 states) of acetonitrile molecule on a laptop in one hour using only 180 MB of memory to represent all computed eigenfunctions.

News

26/05/2016 A TT-eigenvalue solver that finally works
12/05/2016 Exponential machines and tensor trains
06/04/2016 Convergence analysis of a projected fixed-point iteration
30/03/2016 Compress-and-eliminate solver for sparse matrices
01/12/2015 New paper in SIMAX

Contact

We are located at the 2-nd floor of the new "Technopark-3” building in Skolkovo (few kilometers outside Moscow Ring Road). The building is accessible from Skolkovo Road (Сколковское шоссе) and Minskoe Highway (Минское шоссе).

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