Modern applications in engineering and data science are increasingly based on multidimensional data of exceedingly high volume, variety, and structural richness. However, standard machine learning algorithms typically scale exponentially with data volume and complexity of cross-modal couplings - the so called curse of dimensionality - which is prohibitive to the analysis of large-scale, multi-modal and multi-relational datasets. Given that such data are often efficiently represented as multiway arrays or tensors, it is therefore timely and valuable for the multidisciplinary machine learning and data analytic communities to review low-rank tensor decompositions and tensor networks as emerging tools for dimensionality reduction and large scale optimization problems. Our particular emphasis is on elucidating that, by virtue of the underlying low-rank approximations, tensor networks have the ability to alleviate the curse of dimensionality in a number of applied areas. In Part 1 of this monograph we provide innovative solutions to low-rank tensor network decompositions and easy to interpret graphical representations of the mathematical operations on tensor networks. Such a conceptual insight allows for seamless migration of ideas from the flat-view matrices to tensor network operations and vice versa, and provides a platform for further developments, practical applications, and non-Euclidean extensions. It also permits the introduction of various tensor network operations without an explicit notion of mathematical expressions, which may be beneficial for many research communities that do not directly rely on multilinear algebra. Our focus is on the Tucker and tensor train (TT) decompositions and their extensions, and on demonstrating the ability of tensor networks to provide linearly or even super-linearly (e.g., logarithmically) scalable solutions, as illustrated in detail in Part 2 of this monograph

We discuss extended definitions of linear and multilinear operations such as Kronecker, Hadamard, and contracted products, and establish links between them for tensor calculus. Then we introduce effective low-rank tensor approximation techniques including Candecomp/Parafac (CP), Tucker, and tensor train (TT) decompositions with a number of mathematical and graphical representations. We also provide a brief review of mathematical properties of the TT decomposition as a low-rank approximation technique. With the aim of breaking the curseof-dimensionality in large-scale numerical analysis, we describe basic operations on large-scale vectors, matrices, and high-order tensors represented by TT decomposition. The proposed representations can be used for describing numerical methods based on TT decomposition for solving large-scale optimization problems such as systems of linear equations and symmetric eigenvalue problems.

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We propose new algorithms for singular value decomposition (SVD) of very large-scale matrices based on a low-rank tensor approximation technique called the tensor train (TT) format. The proposed algorithms can compute several dominant singular values and corresponding singular vectors for large-scale structured matrices given in a TT format. The computational complexity of the proposed methods scales logarithmically with the matrix size under the assumption that both the matrix and the singular vectors admit low-rank TT decompositions. The proposed methods, which are called the alternating least squares for SVD (ALS-SVD) and modified alternating least squares for SVD (MALS-SVD), compute the left and right singular vectors approximately through block TT decompositions. The very large-scale optimization problem is reduced to sequential small-scale optimization problems, and each core tensor of the block TT decompositions can be updated by applying any standard optimization methods. The optimal ranks of the block TT decompositions are determined adaptively during iteration process, so that we can achieve high approximation accuracy. Extensive numerical simulations are conducted for several types of TT-structured matrices such as Hilbert matrix, Toeplitz matrix, random matrix with prescribed singular values, and tridiagonal matrix. The simulation results demonstrate the effectiveness of the proposed methods compared with standard SVD algorithms and TT-based algorithms developed for symmetric eigenvalue decomposition.

We propose a new method for low-rank approximation of Moore-Penrose pseudoinverses (MPPs) of large-scale matrices using tensor networks. The computed pseudoinverses can be useful for solving or preconditioning of large-scale overdetermined or underdetermined systems of linear equations. The computation is performed efficiently and stably based on the modified alternating least squares (MALS) scheme using low-rank tensor train (TT) decompositions and tensor network contractions. The formulated large-scale optimization problem is reduced to sequential smaller-scale problems for which any standard and stable algorithms can be applied. Regularization technique is incorporated in order to alleviate ill-posedness and obtain robust low-rank approximations. Numerical simulation results illustrate that the regularized pseudoinverses of a wide class of non-square or nonsymmetric matrices admit good approximate low-rank TT representations. Moreover, we demonstrated that the computational cost of the proposed method is only logarithmic in the matrix size given that the TT-ranks of a data matrix and its approximate pseudoinverse are bounded. It is illustrated that a strongly nonsymmetric convection-diffusion problem can be efficiently solved by using the preconditioners computed by the proposed method.Key words. Alternating least squares (ALS), density matrix renormalization group (DMRG), curse of dimensionality, solving of huge system of linear equations, low-rank tensor approximation, matrix product operators, matrix product states, preconditioning, generalized inverse of huge matrices, tensor networks, big data.