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arXiv:2306.08212

Reduced Contraction Costs of Corner-Transfer Methods for PEPS

Lan, Wangwei, Glen Evenbly

Published Jun 14, 2023• 1 citation
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Abstract

We propose a pair of approximations that allows the leading order computational cost of contracting an infinite projected entangled-pair state (iPEPS) to be reduced from $\mathcal{O}(χ^3D^6)$ to $\mathcal{O}(χ^3D^3)$ when using a corner-transfer approach. The first approximation involves (i) reducing the environment needed for truncation of the boundary tensors (ii) relies on the sequential contraction and truncation of bra and ket indices, rather than doing both together as with the established algorithm. To verify the algorithm, we perform benchmark simulations over square lattice Heisenberg model and obtain results that are comparable to the standard iPEPS algorithm. The improvement in computational cost enables us to perform large bond dimension calculations, extending its potential to solve challenging problems.

DOI
10.48550/arxiv.2306.08212

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We propose a pair of approximations that allows the leading order computational cost of contracting an infinite projected entangled-pair state (iPEPS) to be reduced from O(χ3D6)\mathcal{O}(χ^3D^6)O(χ3D6) to O(χ3D3)\mathcal{O}(χ^3D^3)O(χ3D3) when using a corner-transfer approach. The first approximation involves (i) reducing the environment needed for truncation of the boundary tensors (ii) relies on the sequential contraction and truncation of bra and ket indices, rather than doing both together as with the established algorithm. To verify the algorithm, we perform benchmark simulations over square lattice Heisenberg model and obtain results that are comparable to the standard iPEPS algorithm. The improvement in computational cost enables us to perform large bond dimension calculations, extending its potential to solve challenging problems.
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Tensor network algorithms have proven to be very powerful tools for studying one- and two-dimensional quantum many-body systems. However, their application to three-dimensional (3D) quantum systems has so far been limited, mostly because the efficient contraction of a 3D tensor network is very challenging. In this paper, we develop and benchmark two contraction approaches for infinite projected entangled-pair states (iPEPS) in 3D. The first approach is based on a contraction of a finite cluster of tensors including an effective environment to approximate the full 3D network. The second approach performs a full contraction of the network by first iteratively contracting layers of the network with a boundary iPEPS, followed by a contraction of the resulting quasi-2D network using the corner transfer matrix renormalization group. Benchmark data for the Heisenberg and Bose-Hubbard models on the cubic lattice show that the algorithms provide competitive results compared to other approaches, making iPEPS a promising tool to study challenging open problems in 3D.
An extension of the projected entangled-pair states (PEPS) algorithm to infinite systems, known as the iPEPS algorithm, was recently proposed to compute the ground state of quantum systems on an infinite two dimensional lattice. Here we investigate a modification of the iPEPS algorithm, where the environment is computed using the corner transfer matrix renormalization group (CTMRG) method, instead of using one-dimensional transfer matrix methods as in the original proposal. We describe a variant of the CTMRG that addresses different directions of the lattice independently, and use it combined with imaginary time evolution to compute the ground state of the two dimensional quantum Ising model. Near criticality, the modified iPEPS algorithm is seen to provide a better estimation of the order parameter and correlators.
Infinite projected entangled-pair states (iPEPS) provide a powerful tool for studying strongly correlated systems directly in the thermodynamic limit. A core component of the algorithm is the approximate contraction of the iPEPS, where the computational bottleneck typically lies in the singular value or eigenvalue decompositions involved in the renormalization step. This is particularly true on GPUs, where tensor contractions are substantially faster than these decompositions. Here we propose a contraction scheme for C4vC_{4v}C4v​-symmetric tensor networks based on combining the corner transfer matrix renormalization group (CTMRG) with QR-decompositions which are substantially faster, especially on GPUs. Our approach achieves up to two orders of magnitude speedup compared to standard CTMRG without loss of accuracy and yields state-of-the-art results for the Heisenberg and J1J_1J1​-J2J_2J2​ models in less than 1 h on an H100 GPU.
The corner transfer matrix renormalization group (CTMRG) is one of the standard contraction methods for infinite projected entangled-pair states (iPEPS), but its computational cost is dominated by repeated truncated singular value decompositions (SVDs). We introduce subspace-iteration CTMRG (SI-CTMRG), a QR-based projector construction that replaces each large-matrix SVD with an SVD of a much smaller matrix. The resulting algorithm shifts the dominant cost from decompositions to tensor contractions, making it highly suited to GPU acceleration and yielding speedups of up to two orders of magnitude over standard CTMRG. We demonstrate the efficiency and accuracy of the method for the triangular-lattice Heisenberg antiferromagnet, reaching state-of-the-art iPEPS results on a single H100 GPU in approximately 10 hours of computation.
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.