Abstract
Recently, the format of TT tensors (Hackbusch and Kühn in J Fourier Anal Appl 15:706–722, 2009; Oseledets in SIAM J Sci Comput 2009, submitted; Oseledets and Tyrtyshnikov in SIAM J Sci Comput 31:5, 2009; Oseledets and Tyrtyshnikov in Linear Algebra Appl 2009, submitted) has turned out to be a promising new format for the approximation of solutions of high dimensional problems. In this paper, we prove some new results for the TT representation of a tensor \({U \in \mathbb{R}^{n_1\times \cdots\times n_d}}\) and for the manifold of tensors of TT-rank \({\underline{r}}\) . As a first result, we prove that the TT (or compression) ranks r i of a tensor U are unique and equal to the respective separation ranks of U if the components of the TT decomposition are required to fulfil a certain maximal rank condition. We then show that the set \({\mathbb{T}}\) of TT tensors of fixed rank \({\underline{r}}\) locally forms an embedded manifold in \({\mathbb{R}^{n_1\times\cdots\times n_d}}\) , therefore preserving the essential theoretical properties of the Tucker format, but often showing an improved scaling behaviour. Extending a similar approach for matrices (Conte and Lubich in M2AN 44:759, 2010), we introduce certain gauge conditions to obtain a unique representation of the tangent space \({\mathcal{T}_U\mathbb{T}}\) of \({\mathbb{T}}\) and deduce a local parametrization of the TT manifold. The parametrisation of \({\mathcal{T}_{U}\mathbb{T}}\) is often crucial for an algorithmic treatment of high-dimensional time-dependent PDEs and minimisation problems (Lubich in From quantum to classical molecular dynamics: reduced methods and numerical analysis, 2008). We conclude with remarks on those applications and present some numerical examples.
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Beck M.H., Jäckle A., Worth G.A., Meyer H.D.: The multiconfiguration time dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets. Phys. Rep. 324, 1 (2000)
Bellman R.E.: Adaptive Control Processes. Princeton University Press, Princeton (1961)
Beylkin G., Garcke J., Mohlenkamp M.J.: Multivariate regression and machine learning with sums of separable functions. SIAM J. Sci. Comput. 31(3), 1840 (2009)
Conte D., Lubich C.: An error analysis of the multi-configuration time-dependent Hartree method of quantum dynamics. M2AN 44, 759 (2010)
Crawford T.D., Schaeffer H.F. III: An introduction to coupled cluster theory for computational chemists. Rev. Comput. Chem. 14, 33 (2000)
De Lathauwer L., De Moor B., Vandewalle J.: A multilinear singular value decomposition. SIAM J. Matrix Anal. Appl. 21(4), 1253–1278 (2000)
De Lathauwer L., De Moor B., Vandewalle J.: On the best rank-1 and rank-(R 1, R 2, . . . , R N) approximation and applications of higher-order tensors. SIAM J. Matrix Anal. Appl. 21(4), 1324 (2000)
de Silva V., Lim L.-H.: Tensor rank and the ill-posedness of the best low-rank approximation problem. SIAM J. Matrix Anal. Appl.: Special Issue on Tensor Decompositions and Applications 30(3), 1084–1127 (2008)
Eldén L., Savas B.: A Newton–Grassmann method for computing the best multi-linear rank-(r 1,r 2,r 3) approximation of a tensor. SIAM J. Matrix Anal. Appl. 31, 248 (2009)
Espig, M.: Effziente Bestapproximation mittels Summen von Elementartensoren in hohen Dimensionen. Ph.D. thesis (2007)
Espig, M., Hackbusch, W., Rohwedder, T., Schneider, R.: Variational calculus with sums of elementary tensors of fixed rank. Numer. Math. (submitted)
Falcó, A., Hackbusch, W.: On minimal subspaces in tensor representations. Preprint, Max-Planck-Institut für Mathematik in den Naturwissenschaften, Leipzig. http://www.mis.mpg.de/publications/preprints/2010/prepr2010-70.html (2010)
Fannes M., Nachtergaele B., Werner R.F.: Finitely correlated states on quantum spin chains. Commun. Math. Phys. 144, 443 (1992)
Friedman J.H.: Multivariate adaptive regression splines (with discussion). Ann. Stat. 191, 1 (1991)
Grasedyck L.: Hierarchical singular value decomposition of tensors. SIAM. J. Matrix Anal. Appl. 31, 2029 (2010)
Hackbusch W., Kühn S.: A new scheme for the tensor representation. J. Fourier Anal. Appl. 15, 706–722 (2009)
Hairer E., Lubich C., Wanner G.: Geometrical Numerical Integration—Structure-Preserving Algorithms for Ordinary Differential Equations, 2nd edn. Springer, Berlin (2006)
Helgaker T., J#x00F8;rgensen P., Olsen J.: Molecular Electronic-Structure Theory. Wiley, New York (2000)
Holtz, S., Rohwedder, T., Schneider, R.: The alternating linear scheme for tensor optimisation in the TT format. SISC (2010, submitted)
Huckle, T., Waldherr, K., Schulte-Herbrüggen, T.: Computations in quantum tensor networks. Linear Algebra Appl.: Special Issue on Tensors. http://www5.in.tum.de/pub/CompQuantTensorNetwork.pdf (2010, submitted)
Kapteyn A., Neudecker H., Wansbeek T.: An approach to n-mode components analysis. Psychometrika 51, 269 (1986)
Khoromskij B.N., Khoromskaia V.: Multigrid accelerated tensor approximation of function related multidimensional arrays. SIAM J. Sci. Comput. 31(4), 3002 (2009)
Klümper A., Schadschneider A., Zittartz J.: Groundstate properties of a generalized VBS-model. Z. Phys. B: Condensed Matter 87, 281–287 (1992)
Koch O., Lubich C.: Dynamical low rank approximation. SIAM J. Matrix Anal. Appl. 29(2), 434 (2008)
Koch O., Lubich C.: Dynamical low-rank approximation of tensors. SIAM J. Matrix Anal. Appl. 31, 2360 (2010)
Kolda T.G., Bader B.W.: Tensor decompositions and applications. SIAM Rev 51(3), 455–500 (2008)
Kroonenberg P.M., De Leeuw J.: Principal component analysis of three-mode data by means of alternating least squares algorithms. Psychometrika 45, 69 (1980)
Kunkel P., Mehrmann V.: Differential-Algebraic Equations Analysis and Numerical Solution. EMS Publishing House, Zurich (2006)
Lang, S.: Fundamentals of Differential Geometry. Springer (2001)
Lee, J.M.: Manifolds and differential geometry. In: Graduate Studies in Mathematics, vol. 107. AMS (2009)
Lubich, C.: From quantum to classical molecular dynamics: reduced methods and numerical analysis. In: Zürich Lectures in Advanced Mathematics. EMS (2008)
Marti K.H., Bauer B., Reiher M., Troyer M., Verstraete F.: Complete-graph tensor network states: a new fermionic wave function ansatz for molecules. New J. Phys. 12, 103008 (2010)
Oseledets, I.: Compact matrix form of the d-dimensional tensor decomposition. SIAM J. Sci. Comput. (2009, submitted)
Oseledets I.: On a new tensor decomposition. Doklady Math 80(1), 495–496 (2009)
Oseledets, I.: Tensors inside matrices give logarithmic complexity. Preprint 2009-04, IMA RAS April 2009. SIAM J. Matrix Anal. Appl. (accepted)
Oseledets, I.: TT Toolbox 1.0: Fast multidimensional array operations in MATLAB. Preprint 2009-06, INM RAS, August 2009
Oseledets I., Tyrtyshnikov E.E.: Breaking the curse of dimensionality, or how to use SVD in many dimensions. SIAM J. Sci. Comput. 31, 5 (2009)
Oseledets, I.V., Tyrtyshnikov, E.E.: Tensor tree decomposition does not need a tree. Linear Algebra Appl. (2009, submitted)
Savas, B., Lim, L.-H.: Quasi-Newton methods on Grassmannians and multilinear approximations of tensors. ARXIV, eprint arXiv:0907.2214, http://arxiv.org/abs/0907.2214, 2009. Also accepted in SIAM J. Sci. Comput. (2010)
Schneider R., Rohwedder T., Blauert J., Neelov A.: Direct minimization for calculating invariant subspaces in density functional computations of the electronic structure. J. Comput. Math. 27, 360 (2009)
Schollwöck U.: The density-matrix renormalization group. Rev. Mod. Phys. 77(1), 259 (2005)
Szabo A., Ostlund N.S.: Modern Quantum Chemistry. Dover, New York (1992)
Tucker L.R.: Some mathematical notes on three-mode factor analysis. Psychometrica 31(3), 279–311 (1966)
Van Loan, C.F.: Tensor network computations in quantum chemistry. http://www.cs.cornell.edu/cv/OtherPdf/ZeuthenCVL.pdf (2008)
Vidal G.: Efficient classical simulation of slightly entangled quantum computation. Phys. Rev. Lett. 91(14), 147902 (2003)
White S.: Density matrix formulation for quantum renormalization groups. Phys. Rev. Lett. 69, 2863 (1992)
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Holtz, S., Rohwedder, T. & Schneider, R. On manifolds of tensors of fixed TT-rank. Numer. Math. 120, 701–731 (2012). https://doi.org/10.1007/s00211-011-0419-7
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DOI: https://doi.org/10.1007/s00211-011-0419-7