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arXiv:1807.03862 · Journal of the Physical Society of Japan

Tensor-Ring Decomposition with Index-Splitting

Hyun‐Yong Lee, Naoki Kawashima

Published Apr 14, 2020• 4 citations
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Abstract

Tensor-ring decomposition of tensors plays a key role in various applications of tensor network representation in physics as well as in other fields. In most heuristic algorithms for the tensor-ring decomposition, one encounters the problem of local-minima trapping. Particularly, the minima related to the topological structure in the correlation are hard to escape. Therefore, identification of the correlation structure, somewhat analogous to finding matching ends of entangled strings, is the task of central importance. We show how this problem naturally arises in physical applications, and present a strategy for winning this string-pull game.

DOI
10.7566/jpsj.89.054003

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Tensor-ring decomposition of tensors plays a key role in various applications of tensor network representation in physics as well as in other fields. In most heuristic algorithms for the tensor-ring decomposition, one encounters the problem of local-minima trapping. Particularly, the minima related to the topological structure in the correlation are hard to escape. Therefore, identification of the correlation structure, somewhat analogous to finding matching ends of entangled strings, is the task of central importance. We show how this problem naturally arises in physical applications, and present a strategy for winning this string-pull game.
In this work, we study the tensor ring decomposition and its associated numerical algorithms. We establish a sharp transition of algorithmic difficulty of the optimization problem as the bond dimension increases: On one hand, we show the existence of spurious local minima for the optimization landscape even when the tensor ring format is much over-parameterized, i.e., with bond dimension much larger than that of the true target tensor. On the other hand, when the bond dimension is further increased, we establish one-loop convergence for alternating least square algorithm for tensor ring decomposition. The theoretical results are complemented by numerical experiments for both local minimum and one-loop convergence for the alternating least square algorithm.
Many complex chemical problems encoded in terms of physics-based models become computationally intractable for traditional numerical approaches due to their unfavorable scaling with increasing molecular size. Tensor decomposition techniques can overcome such challenges by decomposing unattainably large numerical representations of chemical problems into smaller, tractable ones. In the first two decades of this century, algorithms based on such tensor factorizations have become state-of-the-art methods in various branches of computational chemistry, ranging from molecular quantum dynamics to electronic structure theory and machine learning. Here, we consider the role that tensor decomposition schemes have played in expanding the scope of computational chemistry. We relate some of the most prominent methods to their common underlying tensor network formalisms, providing a unified perspective on leading tensor-based approaches in chemistry and materials science.
In this work, we study the tensor ring decomposition and its associated numerical algorithms. We establish a sharp transition of algorithmic difficulty of the optimization problem as the bond dimension increases: On one hand, we show the existence of spurious local minima for the optimization landscape even when the tensor ring format is much over-parameterized, i.e., with bond dimension much larger than that of the true target tensor. On the other hand, when the bond dimension is further increased, we establish one-loop convergence for alternating least square algorithm for tensor ring decomposition. The theoretical results are complemented by numerical experiments for both local minimum and one-loop convergence for the alternating least square algorithm.
Many complex chemical problems encoded in terms of physics-based models become computationally intractable for traditional numerical approaches due to their unfavorable scaling with increasing molecular size. Tensor decomposition techniques can overcome such challenges by decomposing unattainably large numerical representations of chemical problems into smaller, tractable ones. In the first two decades of this century, algorithms based on such tensor factorizations have become state-of-the-art methods in various branches of computational chemistry, ranging from molecular quantum dynamics to electronic structure theory and machine learning. Here, we consider the role that tensor decomposition schemes have played in expanding the scope of computational chemistry. We relate some of the most prominent methods to their common underlying tensor network formalisms, providing a unified perspective on leading tensor-based approaches in chemistry and materials science.
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.
The efficient evaluation of tensor expressions involving sums over multiple indices is of significant importance to many fields of research, including quantum many-body physics, loop quantum gravity, and quantum chemistry. The computational cost of evaluating an expression may depend strongly on the order in which the index sums are evaluated, and determination of the operation-minimizing contraction sequence for a single tensor network (single term, in quantum chemistry) is known to be NP-hard. The current preferred solution is an exhaustive search, using either an iterative depth-first approach with pruning or dynamic programming and memoization, but these approaches are impractical for many of the larger tensor network ansätze encountered in quantum many-body physics. We present a modified search algorithm with enhanced pruning which exhibits a performance increase of several orders of magnitude while still guaranteeing identification of an optimal operation-minimizing contraction sequence for a single tensor network. A reference implementation for matlab, compatible with the ncon() and multienv() network contractors of arXiv:1402.0939 and Evenbly and Pfeifer, Phys. Rev. B 89, 245118 (2014), respectively, is supplied.