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arXiv:1611.08519 · Annual Review of Condensed Matter Physics

Diagonalizing Transfer Matrices and Matrix Product Operators: A Medley of Exact and Computational Methods

Jutho Haegeman, Frank Verstraete

Published Mar 31, 2017• 118 citations
arXivHTMLPDF

Abstract

Transfer matrices and matrix product operators play a ubiquitous role in the field of many-body physics. This review gives an idiosyncratic overview of applications, exact results, and computational aspects of diagonalizing transfer matrices and matrix product operators. The results in this paper are a mixture of classic results, presented from the point of view of tensor networks, and new results. Topics discussed are exact solutions of transfer matrices in equilibrium and nonequilibrium statistical physics, tensor network states, matrix product operator algebras, and numerical matrix product state methods for finding extremal eigenvectors of matrix product operators.

DOI
10.1146/annurev-conmatphys-031016-025507

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Transfer matrices and matrix product operators play a ubiquitous role in the field of many-body physics. This review gives an idiosyncratic overview of applications, exact results, and computational aspects of diagonalizing transfer matrices and matrix product operators. The results in this paper are a mixture of classic results, presented from the point of view of tensor networks, and new results. Topics discussed are exact solutions of transfer matrices in equilibrium and nonequilibrium statistical physics, tensor network states, matrix product operator algebras, and numerical matrix product state methods for finding extremal eigenvectors of matrix product operators.
This chapter introduces the tensor network representation of physical operators, especially the matrix product representation of model Hamiltonians, called the matrix product operators (MPO), and the quantum transfer matrix representation of partition functions with different boundary conditions or with an impurity. The leading eigenvalue and eigenvectors of the quantum transfer matrix determine all thermodynamic quantities. It allows us to investigate thermodynamics without solving the full energy spectra of the Hamiltonian.
This is a set of lectures on tensor networks with a strong emphasis on the core algorithms involving Matrix Product States (MPS) and Matrix Product Operators (MPO). Compared to other presentations, particular care has been given to disentangle aspects of tensor networks from the quantum many-body problem: MPO/MPS algorithms are presented as a way to deal with linear algebra on extremely (exponentially) large matrices and vectors, regardless of any particular application. The lectures include well-known algorithms to find eigenvectors of MPOs (the celebrated DMRG), solve linear problems, and recent learning algorithms that allow one to map a known function into an MPS (the Tensor Cross Interpolation, or TCI, algorithm). The lectures end with a discussion of how to represent functions and perform calculus with tensor networks using the "quantics" representation. They include the detailed analytical construction of important MPOs such as those for differentiation, indefinite integration, convolution, and the quantum Fourier transform. Three concrete applications are discussed in detail: the simulation of a quantum computer (either exactly or with compression), the simulation of a quantum annealer, and techniques to solve partial differential equations (e.g. Poisson, diffusion, or Gross-Pitaevskii) within the "quantics" representation. The lectures have been designed to be accessible to a first-year PhD student and include detailed proofs of all statements.
This book serves as an introductory yet thorough guide to tensor networks and their applications in quantum computation and quantum information, designed for advanced undergraduate and graduate-level readers. In Part I, foundational topics are covered, including tensor structures and network representations like Matrix Product States (MPS) and Tree Tensor Networks (TTN). These preliminaries provide readers with the core mathematical tools and concepts necessary for quantum physics and quantum computing applications, bridging the gap between multi-linear algebra and complex quantum systems. Part II explores practical applications of tensor networks in simulating quantum dynamics, with a particular focus on the efficiency they offer for systems of high computational complexity. Key topics include Hamiltonian dynamics, quantum annealing, open system dynamics, and optimization strategies using TN frameworks. A final chapter addresses the emerging role of “quantum magic” in tensor networks. It delves into non-stabilizer states and their contribution to quantum computational power beyond classical simulability, featuring methods such as stabilizer-enhanced MPS and the Clifford-dressed TDVP. In presenting tensor networks as tools for understanding quantum complexity, this book aims to foster a deeper collaboration between the many-body physics and quantum computing communities, inviting a broader audience to engage with these recent developments.
These notes provide an introduction to tensor-network methods in quantum many-body physics, with an emphasis on matrix-product states (MPS). They develop the basic tensor-network language, including graphical notation, virtual indices, bond dimensions, gauge freedom, canonical forms, QR and singular-value decompositions, and the role of entanglement in controlling the efficiency of the representation. The main MPS algorithms are then introduced, including contractions, correlation functions, matrix-product operators, DMRG, and time-evolution methods. The notes also briefly discuss projected entangled-pair states (PEPS) as a higher-dimensional generalization of MPS, together with the basic ideas behind approximate PEPS contraction. Finally, tensor-network representations of mixed states, quantum channels, and Lindblad dynamics are presented, with applications to thermal states and open quantum systems. The presentation is accompanied by short Julia code examples based on ITensor, ITensorMPS, and TensorMixedStates. These notes were written for the 9th Les Houches Summer School on Computational Physics: Open Quantum Systems, held in June 2026.
The Thesis explores the application of Matrix Product States (MPS) in the domain of quantum many-body systems and quantum computing, show casing the versatility and effectiveness of MPS for addressing complex com putational challenges. The opening chapter introduces essential tools for Tensor Networks, addressing the curse of dimensionality and elucidating the main characteristics of Matrix Product States and Matrix Product Op erators. The discussion encompasses also important numerical techniques, including Density Matrix Renormalization Group and Time Evolving Block Decimation. Furthermore, the relation between MPS and quantum circuits is discussed. The subsequent Chapters delve into specific applications of MPS. In the second Chapter, we introduce a Tensor Network ansatz inspired by the backflow transformation for correlated systems. This extension of the MPS representation ensures an area law for entanglement in dimensions one or greater. We employ an optimization scheme combining DMRG and variational Monte Carlo algorithms for efficient ground-state search. Bench marking against spin models demonstrates high accuracy. The third Chapter explores quantum annealing for optimizing complex classical spin Hamil tonians, as the Hopfield model and the binary perceptron. We introduce an efficient Tensor Network representation for the adiabatic time evolution of quantum annealing, enabling scalable classical simulations. The use of MPS in mitigating Trotter errors and mapping to quantum circuits is also explored. In the fourth Chapter we present a novel method for evaluating the amount of nonstabilizerness (also known as quantum magic) contained in an MPS. We overcome the exponentially hard evaluation of this quan tity by employing a simple perfect sampling technique of Pauli string. Our innovative MPS approach enables efficient computation. Benchmarked on magic states and the quantum Ising chain ground state, this method offers easy access to the non-equilibrium dynamics of nonstabilizerness following a quantum quench. The Appendices provide additional insights, including: an introduction to variational Monte Carlo, technical details on MPS simula tions for the quantum annealing and a comprehensive overview on stabilizer formalism and nonstabilizerness.
The classical simulation of many-body quantum systems is an essential tool in understanding many fundamental aspects of condensed matter physics. But a major obstacle arises from the number of degrees of freedom involved in describing such systems, which is exponential in the system size. Recently, however, a class of numerical techniques based on structures called "tensor networks" has emerged, which allows many "typical" quantum states (such as the ground states of gapped, local Hamiltonians) to be represented much more efficiently. In this work we extend and apply these techniques to consider several central topics in quantum many-body physics. After reviewing the relevant background material from the field of tensor networks and tensor network states, we demonstrate a method for computing high order moments and cumulants of operators with respect to such states, including the so-called "Binder cumulant," a powerful tool for detecting phase transitions. Next, we employ tensor network algorithms to characterize the ground state phase diagram of a quantum spin model, including both symmetry-breaking phases and symmetry protected topological order, and find a signicant variety of phases and phase transitions. Finally, we consider the entanglement properties of quantum states exhibiting many-body localization, using a combination of exact diagonalization and tensor network techniques. | 231 pages