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IEEE Signal Processing Letters

Optimizing the Order of Modes in Tensor Train Decomposition

Petr Tichavský, Ondřej Straka

Published Jan 1, 2025• 2 citations
Publisher

Abstract

The tensor train (TT) is a popular way of representing high-dimensional hyper-rectangular data structures called tensors. It is widely used, for example, in quantum chemistry under the name “matrix product state”. The complexity of the TT model mainly depends on the bond dimensions that connect TT cores, constituting the model. Unlike canonical polyadic decomposition, the TT model complexity may depend on the order of the modes/indices in the data structures or the order of the core tensors in the TT, in general. This letter aims to provide methods for optimizing the order of the modes to reduce the bond dimensions. Since the number of possible orderings of the cores is exponentially high, we propose a greedy algorithm that provides a suboptimal solution. We consider three problem setups, i.e., specifications of the tensor: tensor given by a list of all its elements, tensor described by a TT model with some default order of the modes, and tensor obtained by sampling a multivariate function.

DOI
10.1109/lsp.2025.3552005

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The tensor train (TT) is a popular way of representing high-dimensional hyper-rectangular data structures called tensors. It is widely used, for example, in quantum chemistry under the name “matrix product state”. The complexity of the TT model mainly depends on the bond dimensions that connect TT cores, constituting the model. Unlike canonical polyadic decomposition, the TT model complexity may depend on the order of the modes/indices in the data structures or the order of the core tensors in the TT, in general. This letter aims to provide methods for optimizing the order of the modes to reduce the bond dimensions. Since the number of possible orderings of the cores is exponentially high, we propose a greedy algorithm that provides a suboptimal solution. We consider three problem setups, i.e., specifications of the tensor: tensor given by a list of all its elements, tensor described by a TT model with some default order of the modes, and tensor obtained by sampling a multivariate function.
In the present work, a method is proposed in order to compute an approximation of a given tensor as a sum of tensor trains (TTs), where the order of the variates and the values of the ranks can vary from one term to the other in an adaptive way. The numerical scheme is based on a greedy algorithm and an adaptation of the TT-SVD method. It achieves good performance without depending on the variable ordering: we observed that it behaves as the average of the TT-SVDs when considering all possible permutations of the variable order. The proposed approach can also be used in order to compute an approximation of a tensor in a canonical polyadic (CP) format, as an alternative to standard algorithms like alternating linear squares (ALS) or alternating singular value decomposition (ASVD) methods. Some numerical experiments are proposed, in which the proposed method is compared to ALS and ASVD methods for the construction of a CP approximation of a given tensor and performs particularly well for high-order tensors. The interest of approximating a tensor as a sum of TTs is illustrated in several numerical test cases.
Tensor-train (TT) decomposition has gained tremendous popularity due to its efficiency in handling high-dimensional data arising in scientific and quantum computing as well as machine learning applications. It provides a compact representation of matrices and vectors with a Kronecker product-like low-rank structure, and hence enables efficient matrix-vector operations in this compressed form. The vector scalar product is among such key operations, comprising a series of tensor contractions in a specific TT network where the order of contractions significantly impacts the computational cost. In this work, we introduce fast algorithms for finding a near-optimal contraction ordering for such networks. We show that our algorithms find such contraction orderings efficiently, outperforming the ordering methods for general tensor networks. Compared to our approaches, the best existing method incurs a higher cost of up to 15% for xTy, twice for xTAy, and more than ten times for xTABy scalar products, where A and B are matrices expressed in TT format.
Tensor networks have in recent years emerged as the powerful tools for solving the large-scale optimization problems. One of the most popular tensor network is tensor train (TT) decomposition that acts as the building blocks for the complicated tensor networks. However, the TT decomposition highly depends on permutations of tensor dimensions, due to its strictly sequential multilinear products over latent cores, which leads to difficulties in finding the optimal TT representation. In this paper, we introduce a fundamental tensor decomposition model to represent a large dimensional tensor by a circular multilinear products over a sequence of low dimensional cores, which can be graphically interpreted as a cyclic interconnection of 3rd-order tensors, and thus termed as tensor ring (TR) decomposition. The key advantage of TR model is the circular dimensional permutation invariance which is gained by employing the trace operation and treating the latent cores equivalently. TR model can be viewed as a linear combination of TT decompositions, thus obtaining the powerful and generalized representation abilities. For optimization of latent cores, we present four different algorithms based on the sequential SVDs, ALS scheme, and block-wise ALS techniques. Furthermore, the mathematical properties of TR model are investigated, which shows that the basic multilinear algebra can be performed efficiently by using TR representaions and the classical tensor decompositions can be conveniently transformed into the TR representation. Finally, the experiments on both synthetic signals and real-world datasets were conducted to evaluate the performance of different algorithms.
In the context of big data, high-order tensor decompositions have to face a new challenge in terms of storage and computational costs. The tensor train (TT) decomposition provides a very useful graph-based model reduction, whose storage cost grows linearly with the tensor order DDD. The computation of the TT-core tensors and TT-ranks can be done in a stable sequential (i.e., noniterative) way thanks to the popular TT-SVD algorithm. In this paper, we exploit the ideas developed for the hierarchical/tree Tucker decomposition in the context of the TT decomposition. Specifically, a new efficient estimation scheme, called TT-HSVD (Tensor-Train Hierarchical SVD), is proposed as a solution to compute the TT decomposition of a high-order tensor. The new algorithm simultaneously delivers the TT-core tensors and their TT-ranks in a hierarchical way. It is a stable (i.e., noniterative) and computationally more efficient algorithm than TT-SVD, which is very important when dealing with large-scale data. The TT-HSVD algorithm uses a new reshaping strategy and a tailored partial SVD, which allows us to deal with smaller matrices compared to those of the TT-SVD. In addition, TT-HSVD is well suited for a parallel processing architecture. An algebraic analysis of the two algorithms is carried out, showing that TT-SVD and TT-HSVD compute the same TT-ranks and TT-core tensors up to specific bases. Simulation results for different tensor orders and dimensions corroborate the effectiveness of the proposed algorithm.
Machine learning and data mining algorithms are becoming increasingly important in analyzing large volume, multi-relational and multi--modal datasets, which are often conveniently represented as multiway arrays or tensors. It is therefore timely and valuable for the multidisciplinary research community to review tensor decompositions and tensor networks as emerging tools for large-scale data analysis and data mining. We provide the mathematical and graphical representations and interpretation of tensor networks, with the main focus on the Tucker and Tensor Train (TT) decompositions and their extensions or generalizations. Keywords: Tensor networks, Function-related tensors, CP decomposition, Tucker models, tensor train (TT) decompositions, matrix product states (MPS), matrix product operators (MPO), basic tensor operations, multiway component analysis, multilinear blind source separation, tensor completion, linear/multilinear dimensionality reduction, large-scale optimization problems, symmetric eigenvalue decomposition (EVD), PCA/SVD, huge systems of linear equations, pseudo-inverse of very large matrices, Lasso and Canonical Correlation Analysis (CCA) (This is Part 1)
Tensor network methods have been a key ingredient of advances in condensed matter physics and have recently sparked interest in the machine learning community for their ability to compactly represent very high-dimensional objects. Tensor network methods can for example be used to efficiently learn linear models in exponentially large feature spaces [Stoudenmire and Schwab, 2016]. In this work, we derive upper and lower bounds on the VC dimension and pseudo-dimension of a large class of tensor network models for classification, regression and completion. Our upper bounds hold for linear models parameterized by arbitrary tensor network structures, and we derive lower bounds for common tensor decomposition models~(CP, Tensor Train, Tensor Ring and Tucker) showing the tightness of our general upper bound. These results are used to derive a generalization bound which can be applied to classification with low rank matrices as well as linear classifiers based on any of the commonly used tensor decomposition models. As a corollary of our results, we obtain a bound on the VC dimension of the matrix product state classifier introduced in [Stoudenmire and Schwab, 2016] as a function of the so-called bond dimension~(i.e. tensor train rank), which answers an open problem listed by Cirac, Garre-Rubio and Pérez-García in [Cirac et al., 2019].