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arXiv:2302.07905 · Physical review. B./Physical review. B

Isometric tensor network representations of two-dimensional thermal states

Wilhelm Kadow, Frank Pollmann, Michael Knap

Published May 3, 2023• 13 citations
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Abstract

Tensor networks provide a useful tool to describe low-dimensional complex many-body systems. Finding efficient algorithms to use these methods for finite-temperature simulations in two dimensions is a continuing challenge. Here, we use the class of recently introduced isometric tensor network states, which can also be directly realized with unitary gates on a quantum computer. We utilize a purification ansatz to efficiently represent thermal states of the transverse field Ising model. By performing an imaginary-time evolution starting from infinite temperature, we find that this approach offers a different way with low computational complexity to represent states at finite temperatures.

DOI
10.1103/physrevb.107.205106

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Tensor networks provide a useful tool to describe low-dimensional complex many-body systems. Finding efficient algorithms to use these methods for finite-temperature simulations in two dimensions is a continuing challenge. Here, we use the class of recently introduced isometric tensor network states, which can also be directly realized with unitary gates on a quantum computer. We utilize a purification ansatz to efficiently represent thermal states of the transverse field Ising model. By performing an imaginary-time evolution starting from infinite temperature, we find that this approach offers a different way with low computational complexity to represent states at finite temperatures.
Tensor-network states (TNS) are a promising but numerically challenging tool for simulating two-dimensional (2D) quantum many-body problems. We introduce an isometric restriction of the TNS ansatz that allows for highly efficient contraction of the network. We consider two concrete applications using this ansatz. First, we show that a matrix-product state representation of a 2D quantum state can be iteratively transformed into an isometric 2D TNS. Second, we introduce a 2D version of the time-evolving block decimation algorithm for approximating of the ground state of a Hamiltonian as an isometric TNS-which we demonstrate for the 2D transverse field Ising model.
Simulating the dynamics of finite two-dimensional (2D) quantum many-body systems poses challenges to numerical methods due to the exponential growth of the many-body Hilbert space. In this work, the authors explore the variational power of recently introduced isometric tensor network states (isoTNS) --- a subset of general tensor-network states that allow an efficient numerical simulation. As a efficient tool to find ground states, the variational density matrix renormalization group (DMRG2{}_{2}2​) is introduced. It is then demonstrated that dynamical correlation functions for the 2D transverse field Ising model and the Kitaev Honeycomb model can be obtained.
The exact contraction of a generic two-dimensional (2D) tensor network state (TNS) is known to be exponentially hard, making simulation of 2D systems difficult. The recently introduced class of isometric TNS (isoTNS) represents a subset of TNS that allows for efficient simulation of such systems on finite square lattices. The isoTNS ansatz requires the identification of an ``orthogonality column'' of tensors, within which one-dimensional matrix product state (MPS) methods can be used for calculation of observables and optimization of tensors. Here we extend isoTNS to infinitely long strip geometries and introduce an infinite version of the Moses Move algorithm for moving the orthogonality column around the network. Using this algorithm, we iteratively transform an infinite MPS representation of a 2D quantum state into a strip isoTNS and investigate the entanglement properties of the resulting state. In addition, we demonstrate that the local observables can be evaluated efficiently. Finally, we introduce an infinite time-evolving block decimation algorithm (iTEBD2{\mathrm{iTEBD}}^{2}iTEBD2) and use it to approximate the ground state of the 2D transverse field Ising model on lattices of infinite strip geometry.
Isometric tensor network states (isoTNS) generalize the isometric form of the one-dimensional matrix product states to tensor networks in two and higher dimensions. Here, we introduce an alternative isometric form for isoTNS by incorporating auxiliary tensors to represent the orthogonality hypersurface. We implement the time evolving block decimation algorithm on this new isometric form and benchmark the method by computing ground states and the real time evolution of the transverse field Ising model in two dimensions on large square lattices of up to 1250 sites. Our results demonstrate that isoTNS can efficiently capture the entanglement structure of two-dimensional area law states. The short-time dynamics is also accurately reproduced even at the critical point. Our isoTNS formulation further allows for a natural extension to different lattice geometries, such as the honeycomb or kagome lattice.
We introduce a tensor network method for approximating thermal equilibrium states of quantum many-body systems at low temperatures. Whereas the usual approach starts from infinite temperature and evolves the state in imaginary time (toward lower temperature), our ansatz is constructed from the zero-temperature limit, the ground state, which can be found with a standard tensor network approach. Motivated by properties of the ground state for conformal field theories, our ansatz is especially well suited near criticality. Moreover, it allows an efficient computation of thermodynamic quantities and entanglement properties. We demonstrate the performance of our approach with a tree tensor network ansatz, although it can be extended to other tensor networks, and present results illustrating its effectiveness in capturing the finite-temperature properties in one- and two-dimensional scenarios. In particular, in the critical one-dimensional case we show how the ansatz reproduces the finite temperature scaling of entanglement in a conformal field theory.
Tensor network states are expected to be good representations of a large class of interesting quantum many-body wave functions.In higher dimensions, their utility is however severely limited by the difficulty of contracting the tensor network, an operation needed to calculate quantum expectation values.Here we introduce a method for the time evolution of three-dimensional isometric tensor networks which respects the isometric structure and therefore renders contraction simple through a special canonical form.Our method involves a tetrahedral site splitting which allows one to move the orthogonality center of an embedded tree tensor network in a simple cubic lattice to any position.Using imaginary time evolution to find an isometric tensor network representation of the ground state of the three-dimensional transverse field Ising model across the entire phase diagram, we perform a systematic benchmark study of this method in comparison with exact Lanczos and quantum Monte Carlo results.We show that the obtained energy matches the exact ground-state result accurately deep in the ferromagnetic and polarized phases, while the regime close to the critical point requires larger bond dimensions.This behavior is in close analogy with the two-dimensional case, which we also discuss for comparison.