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arXiv:1811.05497 · Physical review. B./Physical review. B

Time evolution of an infinite projected entangled pair state: An efficient algorithm

Piotr Czarnik, Jacek Dziarmaga, Philippe Corboz

Published Jan 8, 2019• 125 citations
arXivHTMLPDF

Abstract

An infinite projected entangled pair state (iPEPS) is a tensor network ansatz to represent a quantum state on an infinite 2D lattice whose accuracy is controlled by the bond dimension $D$. Its real, Lindbladian, or imaginary time evolution can be split into small time steps. Every time step generates a new iPEPS with an enlarged bond dimension ${D}^{\ensuremath{'}}>D$, which is approximated by an iPEPS with the original $D$. In P. Czarnik and J. Dziarmaga, Phys. Rev. B 98, 045110 (2018), an algorithm was introduced to optimize the approximate iPEPS by maximizing directly its fidelity to the one with the enlarged bond dimension ${D}^{\ensuremath{'}}$. In this paper, we implement a more efficient optimization employing a local estimator of the fidelity. For imaginary time evolution of a thermal state's purification, we also consider using unitary disentangling gates acting on ancillas to reduce the required $D$. We test the algorithm simulating Lindbladian evolution and unitary evolution after a sudden quench of transverse field ${h}_{x}$ in the 2D quantum Ising model. Furthermore, we simulate thermal states of this model and estimate the critical temperature with good accuracy: $0.1%$ for ${h}_{x}=2.5$ and $0.5%$ for the more challenging case of ${h}_{x}=2.9$ close to the quantum critical point at ${h}_{x}=3.04438(2)$.

DOI
10.1103/physrevb.99.035115

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An infinite projected entangled pair state (iPEPS) is a tensor network ansatz to represent a quantum state on an infinite 2D lattice whose accuracy is controlled by the bond dimension DDD. Its real, Lindbladian, or imaginary time evolution can be split into small time steps. Every time step generates a new iPEPS with an enlarged bond dimension D\ensuremath′>D{D}^{\ensuremath{'}}>DD\ensuremath′>D, which is approximated by an iPEPS with the original DDD. In P. Czarnik and J. Dziarmaga, Phys. Rev. B 98, 045110 (2018), an algorithm was introduced to optimize the approximate iPEPS by maximizing directly its fidelity to the one with the enlarged bond dimension D\ensuremath′{D}^{\ensuremath{'}}D\ensuremath′. In this paper, we implement a more efficient optimization employing a local estimator of the fidelity. For imaginary time evolution of a thermal state's purification, we also consider using unitary disentangling gates acting on ancillas to reduce the required DDD. We test the algorithm simulating Lindbladian evolution and unitary evolution after a sudden quench of transverse field hx{h}_{x}hx​ in the 2D quantum Ising model. Furthermore, we simulate thermal states of this model and estimate the critical temperature with good accuracy: 0.10.1%0.1 for hx=2.5{h}_{x}=2.5hx​=2.5 and 0.50.5%0.5 for the more challenging case of hx=2.9{h}_{x}=2.9hx​=2.9 close to the quantum critical point at hx=3.04438(2){h}_{x}=3.04438(2)hx​=3.04438(2).
A typical quantum state obeying the area law for entanglement on an infinite two-dimensional (2D) lattice can be represented by a tensor network Ansatz, known as an infinite projected entangled pair state (iPEPS), with a finite bond dimension DDD. Its real-imaginary time evolution can be split into small time steps. An application of a time step generates a new iPEPS with a bond dimension kkk times the original one. The new iPEPS does not make optimal use of its enlarged bond dimension kDkDkD; hence, in principle, it can be represented accurately by a more compact Ansatz, preferably with the original DDD. In this work we show how the more compact iPEPS can be optimized variationally to maximize its overlap with the new iPEPS. To compute the overlap we use the corner-transfer-matrix renormalization group. By simulating sudden quench of the transverse field in the 2D quantum Ising model with the proposed algorithm, we provide a proof of principle that real-time evolution can be simulated with iPEPS. A similar proof is provided with the same model for imaginary-time evolution of purification of its thermal states.
Time evolution of an infinite two-dimensional (2D) many body quantum lattice system can be described by the Suzuki-Trotter decomposition applied to the infinite projected entangled pair state (iPEPS). Each Trotter gate increases the bond dimension of the tensor network, DDD, that has to be truncated back in a way that minimizes a suitable error measure. This paper goes beyond simplified error measures--like the one used in the full update, the simple update, and their intermediate neighborhood tensor update--and directly maximizes an overlap between the exact iPEPS with the increased bond dimension and the new iPEPS with the truncated one. The optimization is performed in a tangent space of the iPEPS variational manifold. This gradient tensor update is benchmarked by a simulation of a sudden quench of a transverse field in the 2D quantum Ising model and the quantum Kibble-Zurek mechanism in the same 2D system.
A projected entangled pair state (PEPS) with ancillas can be evolved in imaginary time to obtain thermal states of a strongly correlated quantum system on a two-dimensional lattice. Every application of a Suzuki-Trotter gate multiplies the PEPS bond dimension DDD by a factor kkk. It has to be renormalized back to the original DDD. In order to preserve the accuracy of the Suzuki-Trotter (ST) decomposition, the renormalization in principle has to take into account full environment made of the new tensors with the bond dimension $k\ifmmode\times\else\texttimes\fi{}D$. Here, we propose a self-consistent renormalization procedure operating with the original bond dimension DDD, but without compromising the accuracy of the ST decomposition. The iterative procedure renormalizes the bond using full environment made of renormalized tensors with the bond dimension DDD. After every renormalization, the new renormalized tensors are used to update the environment, and then the renormalization is repeated again and again until convergence. As a benchmark application, we obtain thermal states of the transverse field quantum Ising model on a square lattice, both infinite and finite, evolving the system across a second-order phase transition at finite temperature.
The simple update (SU) and full update (FU) are the two paradigmatic time evolution algorithms for a tensor network known as the infinite projected entangled pair state (iPEPS). They differ by an error measure that is either, respectively, local or takes into account full infinite tensor environment. In this paper we test an intermediate neighborhood tensor update (NTU) accounting for the nearest-neighbor environment. This small environment can be contracted exactly in a parallelizable way. It provides an error measure that is Hermitian and non-negative down to machine precision. In the two-dimensional quantum Ising model, NTU is shown to yield stable unitary time evolution following a sudden quench. It also yields accurate thermal states despite correlation lengths that reach up to 20 lattice sites. The latter simulations were performed with a manifestly Hermitian purification of a thermal state. Both were performed with reduced tensors that do not include physical (and ancilla) indices. This modification naturally leads to two other schemes: a local SVD update and a full tensor update being a variant of FU.
An infinite projected entangled-pair state (iPEPS) is a variational tensor network ansatz for two-dimensional wave functions in the thermodynamic limit where the accuracy can be systematically controlled by the bond dimension DDD. We show that for the doped Hubbard model in the strongly correlated regime (U/t=8,n=0.875)(U/t=8,n=0.875)(U/t=8,n=0.875) the iPEPS yields lower variational energies than state-of-the-art variational methods in the large two-dimensional limit, which demonstrates the competitiveness of the method. In order to obtain an accurate estimate of the energy in the exact infinite-DDD limit we introduce and test an extrapolation technique based on a truncation error computed in the iPEPS imaginary time evolution algorithm. The extrapolated energies are compared with accurate quantum Monte Carlo results at half-filling and with various other methods in the doped, strongly correlated regime.
We investigate the imaginary-time relaxation critical dynamics of the two-dimensional transverse-field Ising model using infinite projected entangled pair states (iPEPS) with the full-update strategy. Simulating directly in the thermodynamic limit, we explore the relaxation process near the critical point with two types of initial states: a fully polarized state and a product state with a small magnetization. For the fully polarized state, the magnetization shows a power law scaling M∝τ−β/(νz)M\propto τ^{-β/(νz)}M∝τ−β/(νz) in the imaginary-time evolution, from which both the critical point and critical exponent can be determined with high accuracy. For the nearly paramagnetic state, the relaxation process exhibits a behavior of M∝τθM\propto τ^θM∝τθ with θ=0.1958θ=0.1958θ=0.1958 being the critical initial-slip exponent, which is in good agreement with that obtained from the dynamic scaling of the self-correlation in quantum Monte Carlo method. These universal features emerge well before the system converges to the ground state, demonstrating the efficiency of imaginary-time evolution for probing quantum criticality. Our results demonstrate that iPEPS can serve as a robust and scalable method for studying dynamical critical phenomena in two-dimensional quantum many-body systems.