Kei Yamamoto

Japan Atomic Energy Agency (JAEA), Japan


Abstract: Quantics tensor train representation of dipole-dipole interactions

In this work, we propose an application to dipole-dipole interactions of a data compression method, called quantics tensor train cross interpolation [1,2,3], that has been developed over the last decade in computational mathematics. It is inspired by the matrix product representation of quantum states in 1D chains, and leverages the optimisation algorithms in linear algebra for machine learning. I introduce the technique in three steps; unfolding of large arrays into a train of smaller sized tensors, a clever rearranging of tensor indices that enable logarithmic computational complexity in the system size in many cases of physical interest, and the cross interpolation algorithm that makes the data compression suitable for iterative manipulations. I will present the tensor train representation of the kernel of dipole-dipole interactions which show a dramatic reduction of the data size (Fig. 1). Preliminary results of some model calculations that illustrate the scope of potential applications will also be discussed.

Figure 1: Core rank as a function of the core position in a quantics tensor train representation of the kernel of dipole-dipole interactions in two-dimensional square lattice. The number of spin sites per dimension is 2N.

References:

[1] I. Oseledets, E. Tyrtyshnikov, Linear Algebra and its Applications 432, (2010) 70-88.
[2] B. N. Khoromskij, Constructive Approximation (2011) 34:257-280.
[3] I. Oseledets, SIAM J. Sci. Comput. 33, No. 5, 2295-2317 (2011).



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