Lecture Notes in Physics 964 Shi-Ju Ran · Emanuele Tirrito Cheng Peng · Xi Chen Luca Tagliacozzo · Gang Su Maciej Lewenstein Tensor Network Contractions Methods and Applications to Quantum Many-Body Systems www.com Lecture Notes in Physics Volume 964 Founding Editors Wolf Beiglböck, Heidelberg, Germany Jürgen Ehlers, Potsdam, Germany Klaus Hepp, Zürich, Switzerland Hans-Arwed Weidenmüller, Heidelberg, Germany Series Editors Matthias Bartelmann, Heidelberg, Germany Roberta Citro, Salerno, Italy Peter Hänggi, Augsburg, Germany Morten Hjorth-Jensen, Oslo, Norway Maciej Lewenstein, Barcelona, Spain Angel Rubio, Hamburg, Germany Manfred Salmhofer, Heidelberg, Germany Wolfgang Schleich, Ulm, Germany Stefan Theisen, Potsdam, Germany James D. Wells, Ann Arbor, MI, USA Gary P. Zank, Huntsville, AL, USA www.com The Lecture Notes in Physics The series Lecture Notes in Physics (LNP), founded in 1969, reports new devel- opments in physics research and teaching-quickly and informally, but with a high quality and the explicit aim to summarize and communicate current knowledge in an accessible way. Books published in this series are conceived as bridging material between advanced graduate textbooks and the forefront of research and to serve three purposes: • to be a compact and modern up-to-date source of reference on a well-defined topic • to serve as an accessible introduction to the field to postgraduate students and nonspecialist researchers from related areas • to be a source of advanced teaching material for specialized seminars, courses and schools Both monographs and multi-author volumes will be considered for publication.
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Proposals should be sent to a member of the Editorial Board, or directly to the managing editor at Springer: Dr Lisa Scalone Springer Nature Physics Editorial Department I Tiergartenstrasse 17 69121 Heidelberg, Germany lisa.com More information about this series at http://www.com/series/5304 www.com Shi-Ju Ran • Emanuele Tirrito • Cheng Peng • Xi Chen • Luca Tagliacozzo • Gang Su • Maciej Lewenstein Tensor Network Contractions Methods and Applications to Quantum Many-Body Systems www.com Shi-Ju Ran Emanuele Tirrito Department of Physics Quantum Optics Theory Capital Normal University Institute of Photonic Sciences Beijing, China Castelldefels, Spain Cheng Peng Xi Chen Stanford Institute for Materials School of Physical Sciences and Energy Sciences University of Chinese Academy of Science SLAC and Stanford University Beijing, China Menlo Park, CA, USA Luca Tagliacozzo Gang Su Department of Quantum Physics and Kavli Institute for Theoretical Sciences Astrophysics University of Chinese Academy of Science University of Barcelona Beijing, China Barcelona, Spain Maciej Lewenstein Quantum Optics Theory Institute of Photonic Sciences Castelldefels, Spain ISSN 0075-8450 ISSN 1616-6361 (electronic) Lecture Notes in Physics ISBN 978-3-030-34488-7 ISBN 978-3-030-34489-4 (eBook) https://doi.1007/978-3-030-34489-4 This book is an open access publication. © The Editor(s) (if applicable) and the Author(s) 2020 Open Access This book is licensed under the terms of the Creative Commons Attribution 4.0 Inter- national License (http://creativecommons.org/licenses/by/4.0/), which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence and indicate if changes were made. The images or other third party material in this book are included in the book’s Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the book’s Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder.
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The publisher remains neutral with regard to jurisdictional claims in published maps and institutional affiliations. This Springer imprint is published by the registered company Springer Nature Switzerland AG. The registered company address is: Gewerbestrasse 11, 6330 Cham, Switzerland www.com Preface Tensor network (TN), a young mathematical tool of high vitality and great potential, has been undergoing extremely rapid developments in the last two decades, gaining tremendous success in condensed matter physics, atomic physics, quantum information science, statistical physics, and so on. In this lecture notes, we focus on the contraction algorithms of TN as well as some of the applications to the simulations of quantum many-body systems.
Starting from basic concepts and definitions, we first explain the relations between TN and physical problems, including the TN representations of classical partition functions, quantum many- body states (by matrix product state, tree TN, and projected entangled pair state), time evolution simulations, etc. These problems, which are challenging to solve, can be transformed to TN contraction problems. We present then several paradigm algorithms based on the ideas of the numerical renormalization group and/or boundary states, including density matrix renormalization group, time-evolving block decimation, coarse-graining/corner tensor renormalization group, and several distinguished variational algorithms. Finally, we revisit the TN approaches from the perspective of multi-linear algebra (also known as tensor algebra or tensor decompositions) and quantum simulation.
Despite the apparent differences in the ideas and strategies of different TN algorithms, we aim at revealing the underlying relations and resemblances in order to present a systematic picture to understand the TN contraction approaches. Beijing, China Shi-Ju Ran Castelldefels, Spain Emanuele Tirrito Menlo Park, CA, USA Cheng Peng Beijing, China Xi Chen Barcelona, Spain Luca Tagliacozzo Beijing, China Gang Su Castelldefels, Spain Maciej Lewenstein v www.com Acknowledgements We are indebted to Mari-Carmen Bañuls, Ignacio Cirac, Jan von Delft, Yichen Huang, Karl Jansen, José Ignacio Latorre, Michael Lubasch, Wei Li, Simone Montagero, Tomotoshi Nishino, Roman Orús, Didier Poilblanc, Guifre Vidal, Andreas Weichselbaum, Tao Xiang, and Xin Yan for helpful discussions and suggestions. SJR acknowledges Fundació Catalunya-La Pedrera, Ignacio Cirac Program Chair and Beijing Natural Science Foundation (Grants No. ET and ML acknowledge the Spanish Ministry MINECO (National Plan 15 Grant: FISICATEAMO No.
FIS2016-79508-P, SEVERO OCHOA No. SEV-2015-0522, FPI), European Social Fund, Fundació Cellex, Generalitat de Catalunya (AGAUR Grant No. 2017 SGR 1341 and CERCA/Program), ERC AdG OSYRIS and NOQIA, EU FETPRO QUIC, and the National Science Centre, Poland-Symfonia Grant No. LT was supported by the Spanish RYC-2016-20594 program from MINECO.
SJR, CP, XC, and GS were supported by the NSFC (Grant No. CP, XC, and GS were supported in part by the National Key R&D Program of China (Grant No. 2018FYA0305800), the Strategic Priority Research Program of CAS (Grant No. XDB28000000), and Beijing Municipal Science and Technology Commission (Grant No.com Contents 1 Introduction .1 Numeric Renormalization Group in One Dimension.2 Tensor Network States in Two Dimensions .3 Tensor Renormalization Group and Tensor Network Algorithms .4 Organization of Lecture Notes.
8 2 Tensor Network: Basic Definitions and Properties .1 Scalar, Vector, Matrix, and Tensor .2 Tensor Network and Tensor Network States .1 A Simple Example of Two Spins and Schmidt Decomposition .2 Matrix Product State .3 Affleck–Kennedy–Lieb–Tasaki State .4 Tree Tensor Network State (TTNS) and Projected Entangled Pair State (PEPS) .5 PEPS Can Represent Non-trivial Many-Body States: Examples .6 Tensor Network Operators .7 Tensor Network for Quantum Circuits.3 Tensor Networks that Can Be Contracted Exactly .1 Definition of Exactly Contractible Tensor Network States .2 MPS Wave-Functions.3 Tree Tensor Network Wave-Functions.4 MERA Wave-Functions .5 Sequentially Generated PEPS Wave-Functions .6 Exactly Contractible Tensor Networks .1 General Form of Tensor Network .2 Gauge Degrees of Freedom .3 Tensor Network and Quantum Entanglement. 58 3 Two-Dimensional Tensor Networks and Contraction Algorithms .1 From Physical Problems to Two-Dimensional Tensor Networks .1 Classical Partition Functions .3 Ground-State and Finite-Temperature Simulations .2 Tensor Renormalization Group .3 Corner Transfer Matrix Renormalization Group .4 Time-Evolving Block Decimation: Linearized Contraction and Boundary-State Methods .5 Transverse Contraction and Folding Trick .6 Relations to Exactly Contractible Tensor Networks and Entanglement Renormalization. 83 4 Tensor Network Approaches for Higher-Dimensional Quantum Lattice Models .1 Variational Approaches of Projected-Entangled Pair State .2 Imaginary-Time Evolution Methods .3 Full, Simple, and Cluster Update Schemes .4 Summary of the Tensor Network Algorithms in Higher Dimensions. 95 5 Tensor Network Contraction and Multi-Linear Algebra .1 A Simple Example of Solving Tensor Network Contraction by Eigenvalue Decomposition .1 Canonicalization of Matrix Product State .2 Canonical Form and Globally Optimal Truncations of MPS .3 Canonicalization Algorithm and Some Related Topics .2 Super-Orthogonalization and Tucker Decomposition .2 Super-Orthogonalization Algorithm .3 Super-Orthogonalization and Dimension Reduction by Tucker Decomposition.3 Zero-Loop Approximation on Regular Lattices and Rank-1 Decomposition .1 Super-Orthogonalization Works Well for Truncating the PEPS on Regular Lattice: Some Intuitive Discussions .com Contents xi 5.2 Rank-1 Decomposition and Algorithm .3 Rank-1 Decomposition, Super-Orthogonalization, and Zero-Loop Approximation .4 Error of Zero-Loop Approximation and Tree-Expansion Theory Based on Rank-Decomposition .4 iDMRG, iTEBD, and CTMRG Revisited by Tensor Ring Decomposition .1 Revisiting iDMRG, iTEBD, and CTMRG: A Unified Description with Tensor Ring Decomposition .2 Extracting the Information of Tensor Networks From Eigenvalue Equations: Two Examples.
126 6 Quantum Entanglement Simulation Inspired by Tensor Network .1 Motivation and General Ideas .2 Simulating One-Dimensional Quantum Lattice Models .3 Simulating Higher-Dimensional Quantum Systems .4 Quantum Entanglement Simulation by Tensor Network: Summary .com Acronyms AKLT state Affleck–Kennedy–Lieb–Tasaki state AOP Ab initio optimization principle CANDECOMP/PARAFAC Canonical decomposition/parallel factorization CFT Conformal field theory CTM Corner transfer matrix CTMRG Corner transfer matrix renormalization group DFT Density functional theory DMFT Dynamical mean-field theory DMRG Density matrix renormalization group ECTN Exactly contractible tensor network HOOI Higher-order orthogonal iteration HOSVD Higher-order singular value decomposition HOTRG Higher-order tensor renormalization group iDMRG Infinite density matrix renormalization group iPEPO Infinite projected entangled pair operator iPEPS Infinite projected entangled pair state iTEBD Infinite time-evolving block decimation MERA Multiscale entanglement renormalization ansatz MLA Multi-linear algebra MPO Matrix product operator MPS Matrix product state NCD Network contractor dynamics NP hard Non-deterministic polynomial hard NRG Numerical renormalization group NTD Network Tucker decomposition PEPO Projected entangled pair operator PEPS Projected entangled pair state QES Quantum entanglement simulation/simulator QMC Quantum Monte Carlo RG Renormalization group RVB Resonating valence bond xiii www.com xiv Acronyms SEEs Self-consistent eigenvalue equations SRG Second renormalization group SVD Singular value decomposition TDVP Time-dependent variational principle TEBD Time-evolving block decimation TMRG Transfer matrix renormalization group TN Tensor network TNR Tensor network renormalization TNS Tensor network state TPO Tensor product operator TRD Tensor ring decomposition TRG Tensor renormalization group TTD Tensor-train decomposition TTNS Tree tensor network state VMPS Variational matrix product state www.com Chapter 1 Introduction Abstract One characteristic that defines us, human beings, is the curiosity of the unknown. Since our birth, we have been trying to use any methods that human brains can comprehend to explore the nature: to mimic, to understand, and to utilize in a controlled and repeatable way. One of the most ancient means lies in the nature herself, experiments, leading to tremendous achievements from the creation of fire to the scissors of genes. Then comes mathematics, a new world we made by numbers and symbols, where the nature is reproduced by laws and theorems in an extremely simple, beautiful, and unprecedentedly accurate manner.
With the explosive development of digital sciences, computer was created. It provided us the third way to investigate the nature, a digital world whose laws can be ruled by ourselves with codes and algorithms to numerically mimic the real universe. In this chapter, we briefly review the history of tensor network algorithms and the related progresses made recently. The organization of our lecture notes is also presented.