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arXiv:1808.00680 · Physical review. B./Physical review. B

Universal tensor-network algorithm for any infinite lattice

Saeed S. Jahromi, Román Orús

Published May 3, 2019• 38 citations
arXivHTMLPDF

Abstract

We present a general graph-based projected entangled-pair state (gPEPS) algorithm to approximate ground states of nearest-neighbor local Hamiltonians on any lattice or graph of infinite size. By introducing the structural matrix, which codifies the details of tensor networks on any graphs in any dimension $d$, we are able to produce a code that can be essentially launched to simulate any lattice. We further introduce an optimized algorithm to compute simple tensor updates as well as expectation values and correlators with a mean-field-like effective environments. Though not being variational, this strategy allows to cope with PEPS of very large bond dimension (e.g., $D=100$) and produces remarkably accurate results in the thermodynamic limit in many situations, and specially when the correlation length is small and the connectivity of the lattice is large. We prove the validity of our approach by benchmarking the algorithm against known results for several models, i.e., the antiferromagnetic Heisenberg model on a chain, star and cubic lattices, the hardcore Bose-Hubbard model on square lattice, the ferromagnetic Heisenberg model in a field on the pyrochlore lattice, as well as the three-state quantum Potts model in field on the kagome lattice and the spin-1 bilinear-biquadratic Heisenberg model on the triangular lattice. We further demonstrate the performance of gPEPS by studying the quantum phase transition of the $2d$ quantum Ising model in transverse magnetic field on the square lattice, and the phase diagram of the Kitaev-Heisenberg model on the hyperhoneycomb lattice. Our results are in excellent agreement with previous studies.

DOI
10.1103/physrevb.99.195105

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We present a general graph-based projected entangled-pair state (gPEPS) algorithm to approximate ground states of nearest-neighbor local Hamiltonians on any lattice or graph of infinite size. By introducing the structural matrix, which codifies the details of tensor networks on any graphs in any dimension ddd, we are able to produce a code that can be essentially launched to simulate any lattice. We further introduce an optimized algorithm to compute simple tensor updates as well as expectation values and correlators with a mean-field-like effective environments. Though not being variational, this strategy allows to cope with PEPS of very large bond dimension (e.g., D=100D=100D=100) and produces remarkably accurate results in the thermodynamic limit in many situations, and specially when the correlation length is small and the connectivity of the lattice is large. We prove the validity of our approach by benchmarking the algorithm against known results for several models, i.e., the antiferromagnetic Heisenberg model on a chain, star and cubic lattices, the hardcore Bose-Hubbard model on square lattice, the ferromagnetic Heisenberg model in a field on the pyrochlore lattice, as well as the three-state quantum Potts model in field on the kagome lattice and the spin-1 bilinear-biquadratic Heisenberg model on the triangular lattice. We further demonstrate the performance of gPEPS by studying the quantum phase transition of the 2d2d2d quantum Ising model in transverse magnetic field on the square lattice, and the phase diagram of the Kitaev-Heisenberg model on the hyperhoneycomb lattice. Our results are in excellent agreement with previous studies.
The infinite projected entangled pair states (iPEPS) algorithm [J. Jordan et al., Phys. Rev. Lett. 101, 250602 (2008)] has become a useful tool in the calculation of ground-state properties of two-dimensional quantum lattice systems in the thermodynamic limit. Despite its many successful implementations, the method has some limitations in its present formulation which hinder its application to some highly entangled systems. The purpose of this paper is to unravel some of these issues, in turn enhancing the stability and efficiency of iPEPS methods. For this, we first introduce the fast full update scheme, where effective environment and iPEPS tensors are both simultaneously updated (or evolved) throughout time. As we shall show, this implies two crucial advantages: (i) dramatic computational savings and (ii) improved overall stability. In addition, we extend the application of the local gauge fixing, successfully implemented for finite-size PEPS [M. Lubasch et al., Phys. Rev. B 90, 064425 (2014)], to the iPEPS algorithm. We see that the gauge fixing not only further improves the stability of the method but also accelerates the convergence of the alternating least-squares sweeping in the (either ``full'' or ``fast full'') tensor update scheme. The improvement in terms of computational cost and stability of the resulting ``improved'' iPEPS algorithm is benchmarked by studying the ground-state properties of the quantum Heisenberg and transverse-field Ising models on an infinite square lattice.
The efficient simulation of a quantum many-body system is often incredibly difficult due to the exponential scaling of the Hilbert space with increasing number of interacting particles. In practice, it is only possible to exactly simulate small clusters. In many cases, tensor-network-based methods are capable of overcoming this challenge, providing reliable simulations of much larger or even infinite-sized systems through a low-rank factorization of the state coefficients. Tensor operations are typically highly parallelizable, and therefore capable of utilizing the high performance of modern general-purpose graphics processing units (GPU). A particular tensor-network ansatz called infinite projected-entangled pair states (iPEPS) may be used to simulate infinite two-dimensional lattice systems, and are the primary subject of this thesis. As part of this work, a GPU-based open-source software library called Ace-TN was developed to accelerate iPEPS calculations. Benchmarks are presented showing efficient single- and muli-gpu execution of the core iPEPS simulation techniques. iPEPS simulations are performed for quantum spin systems with bond directional interactions, referred to as quantum compass models (QCM) or Kitaev models depending on pre-established naming conventions. The QCM defined on square and kagome lattices are considered with the addition of an external magnetic field. Each system possesses one-dimensional gauge-like symmetries in zero field, relating subextensively-many ground states that are capable of being represented by iPEPS. These states are shown to be metastable in non-zero field through adiabatic evolution from the zero-field ground state, each separated by a small energy gap. Several field-dependent phases and phase transitions are found in each system. Prominent nematic phases are found in both the square- and kagome-lattice systems. The square-lattice system contains a field value that admits an exact solution of the ground state which is characteristic of the surrounding phase. The inclusion of isotropic Heisenberg coupling to the kagome-lattice system is also explored, which produces a frustrated parameter regime between two dual quantum spin-liquid phases.
The infinite projected entangled-pair state (iPEPS) algorithm is one of the most efficient techniques for studying the ground-state properties of two-dimensional quantum lattice Hamiltonians in the thermodynamic limit. Here, we show how the algorithm can be adapted to explore nearest-neighbor local Hamiltonians on the ruby and triangle-honeycomb lattices, using the corner transfer matrix (CTM) renormalization group for 2D tensor network contraction. Additionally, we show how the CTM method can be used to calculate the ground-state fidelity per lattice site and the boundary density operator and entanglement entropy (EE) on an infinite cylinder. As a benchmark, we apply the iPEPS method to the ruby model with anisotropic interactions and explore the ground-state properties of the system. We further extract the phase diagram of the model in different regimes of the couplings by measuring two-point correlators, ground-state fidelity, and EE on an infinite cylinder. Our phase diagram is in agreement with previous studies of the model by exact diagonalization.
Tensor network methods have become a powerful class of tools to capture strongly correlated matter, but methods to capture the experimentally ubiquitous family of models at finite temperature beyond one spatial dimension are largely lacking. We introduce a tensor network algorithm able to simulate thermal states of two-dimensional quantum lattice systems in the thermodynamic limit. The method develops instances of projected entangled pair states and projected entangled pair operators for this purpose. It is the key feature of this algorithm to resemble the cooling down of the system from an infinite temperature state until it reaches the desired finite-temperature regime. As a benchmark, we study the finite-temperature phase transition of the Ising model on an infinite square lattice, for which we obtain remarkable agreement with the exact solution. We then turn to study the finite-temperature Bose-Hubbard model in the limits of two (hard-core) and three bosonic modes per site. Our technique can be used to support the experimental study of actual effectively two-dimensional materials in the laboratory, as well as to benchmark optical lattice quantum simulators with ultracold atoms.
Tensor network algorithms (TNAs) represent one of the most recent developments in the field of numerical methods for the simulation of strongly-correlated manybody systems.Arising as a natural consequence of an improved understanding of the entanglement structures intrinsic to the ground-state manifolds of manybody Hilbert spaces, they correspond to algorithms exploiting entropic constraints expected to arise in various classes of many-body ground states.In this work we apply and develop TNAs for the simulation of various stronglycorrelated lattice models.Concretely, we apply tensor network renormalization (TNR) to the study of the classical Blume-Capel model (BCM).We propose to exploit the RG features specific to TNR to obtain an indicator for the vicinity of (multi-)critical points.We show that in the case of the BCM it leads to a location of its tricritical point matching the accuracy of state-of-the-art Monte Carlo approaches.This allows us to characterize the underlying c = 7/10 conformal field theory with an excellent accuracy.We then present a self-contained introduction to the most widely used techniques for the simulation of one-and two-dimensional quantum systems, where we cover matrix product states (MPS) and projected entangled-pair states (PEPS) in detail.We briefly discuss the multi-scale entanglement renormalization Ansatz (MERA).We apply infinite PEPS (iPEPS) to the simulation of the Kitaev-Heisenberg (KH) model, proposed as an effective low-energy theory for the so-called Iridate compounds of the form A 2 IrO 3 (A = Na, Li).We show the ability of iPEPS to accurately encode the complex ground-state physics of Kitaev's honeycomb model.When considering the KH model we confirm the existence of all previously found phases, locate all phase transitions in the phase diagram, finding good agreement with previous studies, and provide estimates for the survival regions of the spinliquid phases in the thermodynamic limit.We briefly discuss the nature of these transitions.We conclude this work with a study of various formulations of iPEPS on cylindrical geometries.We benchmark the proposed formulations by studying the transversefield Ising model and find good performance for a subset of the formulations studv ied.We then carry out a comparison between iPEPS and iMPS methods for the Heisenberg and Hubbard models and find a range of cylinder widths over which both methods exhibit comparable performance.We find evidence for the potential of iPEPS simulations on cylinders and argue that our findings provide support for future studies employing both MPS and PEPS methods in conjunction.vi Wir schlieSSen diese Arbeit mit einer Untersuchung verschiedener Formulierungen von iPEPS für zylindrische Geometrien ab.Wir bewerten die vorgeschlagenen Formulierungen durch die Untersuchung des Ising-Modells im transversalen Feld und finden gute Ergebnisse für eine Teilmenge der untersuchten Formulierungen.Wir führen dann einen Vergleich zwischen iPEPS und iMPS Methoden für die Heisenberg und Hubbard Modelle durch und finden einen Bereich von Zylinderbreiten, in dem beide Methoden vergleichbare Leistungen bringen.Wir finden Beweise für das Potenzial von iPEPS-Simulationen auf Zylinder und argumentieren, dass unsere Erkenntnisse Unterstützung für zukünftige Studien liefern, die sowohl MPSals auch PEPS-Methoden zusammen verwenden.viii Despite the considerable progress made towards the understanding of stronglycorrelated systems, much work remains to be done and, as is perhaps to be expected, the broad nature of the problems encountered means that no single approach is likely to be applicable in every circumstance.From a numerical perspective a wide variety of techniques have been developed over time.Of these, the most accurate is exact diagonalization (ED) which, as its name indicates, attempts to partially diagonalize the Hamiltonian operator.However, owing to the exponential growth of Hilbert space dimension as the system size is increased, this method rapidly becomes inapplicable.Indeed, even when targeting
Projected entangled pair states (PEPS) are a class of quantum many-body states that generalize matrix product states for one-dimensional systems to higher dimensions. In recent years, PEPS have advanced understanding of strongly correlated systems, especially in two dimensions, e.g., quantum spin liquids. Typically described by tensor networks on regular lattices (e.g., square, cubic), PEPS have also been adapted for irregular graphs; however, the computational cost becomes prohibitive for dense graphs with large vertex degrees. In this paper, we present a PEPS algorithm to simulate low-energy states and dynamics defined on arbitrary, fluctuating, and densely connected graphs. We introduce a cut-off, κ ∈ N , to constrain the vertex degree of the PEPS to a set but tunable value, which is enforced in the optimization by applying a simple edge-deletion rule, allowing the geometry of the PEPS to change and adapt dynamically to the system's correlation structure. We benchmark our flexible PEPS algorithm with simulations of classical spin glasses and quantum annealing on densely connected graphs with hundreds of spins, and also study the impact of tuning κ when simulating a uniform quantum spin model on a regular (square) lattice. Our paper opens the way to apply tensor network algorithms to arbitrary, even fluctuating, background geometries.