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arXiv:2410.11596 · Physical review. B./Physical review. B

Exploiting the Hermitian symmetry in tensor network algorithms

Oscar van Alphen, Stijn V. Kleijweg, Juraj Hašík, Philippe Corboz

Published Jan 3, 2025• 3 citations
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Abstract

Exploiting symmetries in tensor network algorithms plays a key role for reducing the computational and memory costs. Here we explain how to incorporate the Hermitian symmetry in double-layer tensor networks, which naturally arise in methods based on projected entangled-pair states. For real-valued tensors the Hermitian symmetry defines a ${\mathbb{Z}}_{2}$ symmetry on the combined bra and ket auxiliary level of the tensors. By implementing this symmetry, a speedup of the computation time by up to a factor 4 can be achieved, while expectation values of observables and reduced density matrices remain Hermitian by construction. Benchmark results based on the corner transfer matrix renormalization group and higher-order tensor renormalization group are presented. We also discuss how to implement the Hermitian symmetry in the complex case, where a similar speedup can be achieved.

DOI
10.1103/physrevb.111.045105

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Exploiting symmetries in tensor network algorithms plays a key role for reducing the computational and memory costs. Here we explain how to incorporate the Hermitian symmetry in double-layer tensor networks, which naturally arise in methods based on projected entangled-pair states. For real-valued tensors the Hermitian symmetry defines a Z2{\mathbb{Z}}_{2}Z2​ symmetry on the combined bra and ket auxiliary level of the tensors. By implementing this symmetry, a speedup of the computation time by up to a factor 4 can be achieved, while expectation values of observables and reduced density matrices remain Hermitian by construction. Benchmark results based on the corner transfer matrix renormalization group and higher-order tensor renormalization group are presented. We also discuss how to implement the Hermitian symmetry in the complex case, where a similar speedup can be achieved.
Due to the unfavorable scaling of tensor-network methods with the refinement parameter MMM, new approaches are necessary to improve the efficiency of numerical simulations based on such states, in particular for gapless, strongly entangled systems. In one-dimensional density matrix renormalization group methods, the use of Abelian symmetries has led to large computational gain. In higher-dimensional tensor networks, this is associated with significant technical efforts and additional approximations. We explain a formalism to implement such symmetries in two-dimensional tensor-network states and present benchmark results that confirm the validity of these approximations in the context of projected entangled-pair state algorithms.
Tensor network decompositions offer an efficient description of certain many-body states of a lattice system and are the basis of a wealth of numerical simulation algorithms. In a recent paper [Phys. Rev. A 82, 050301 (2010)] we discussed how to incorporate a global internal symmetry, given by a compact, completely reducible group G\mathcal{G}G, into tensor network decompositions and algorithms. Here we specialize to the case of Abelian groups and, for concreteness, to a U(1) symmetry, associated, e.g., with particle number conservation. We consider tensor networks made of tensors that are invariant (or covariant) under the symmetry, and explain how to decompose and manipulate such tensors in order to exploit their symmetry. In numerical calculations, the use of U(1)-symmetric tensors allows selection of a specific number of particles, ensures the exact preservation of particle number, and significantly reduces computational costs. We illustrate all these points in the context of the multiscale entanglement renormalization Ansatz.
Calculation of observables with three-dimensional projected entangled pair states is generally hard, as it requires a contraction of complex multi-layer tensor networks. We utilize the multi-layer structure of these tensor networks to largely simplify the contraction. The proposed approach involves the usage of the layer structure both to simplify the search for the boundary projected entangled pair states and the single-layer mapping of the final corner transfer matrix renormalization group contraction. We benchmark our results on the cubic lattice Heisenberg model, reaching the bond dimension D = 7 , and find a good agreement with the previous results. Published by the American Physical Society 2024
The benefits of exploiting the presence of symmetries in tensor network algorithms have been extensively demonstrated in the context of matrix product states (MPSs). These include the ability to select a specific symmetry sector (e.g., with a given particle number or spin), to ensure the exact preservation of total charge, and to significantly reduce computational costs. Compared to the case of a generic tensor network, the practical implementation of symmetries in the MPS is simplified by the fact that tensors only have three indices (they are trivalent, just as the Clebsch-Gordan coefficients of the symmetry group) and are organized as a one-dimensional array of tensors, without closed loops. Instead, a more complex tensor network, one where tensors have a larger number of indices and/or a more elaborate network structure, requires a more general treatment. In two recent papers, namely, (i) [Singh, Pfeifer, and Vidal, Phys. Rev. A 82, 050301 (2010)] and (ii) [Singh, Pfeifer, and Vidal, Phys. Rev. B 83, 115125 (2011)], we described how to incorporate a global internal symmetry into a generic tensor network algorithm based on decomposing and manipulating tensors that are invariant under the symmetry. In (i) we considered a generic symmetry group G\mathcal{G}G that is compact, completely reducible, and multiplicity free, acting as a global internal symmetry. Then, in (ii) we described the implementation of Abelian group symmetries in much more detail, considering a U(1) symmetry (e.g., conservation of global particle number) as a concrete example. In this paper, we describe the implementation of non-Abelian group symmetries in great detail. For concreteness, we consider an SU(2) symmetry (e.g., conservation of global quantum spin). Our formalism can be readily extended to more exotic symmetries associated with conservation of total fermionic or anyonic charge. As a practical demonstration, we describe the SU(2)-invariant version of the multiscale entanglement renormalization ansatz and apply it to study the low-energy spectrum of a quantum spin chain with a global SU(2) symmetry.
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.
Tensor networks are a class of methods for studying many-body systems. They give a geometrical description of the internal structure of many-body states, operators, and partition functions, that can be used to implement efficient algorithms to simulate them numerically. In this thesis, after providing a very brief overview of the field, we present new tensor network methods for three different use cases. \n \nFirst, we present a new real-space renormalization group algorithm for tensor networks. Compared to existing methods, its advantages are its low computational cost, simplicity of implementation, and applicability to any network. We benchmark it on the 2D classical Ising model and find accuracy comparable with the best existing tensor network methods. Due to its simplicity and generalizability, we consider our algorithm to be an excellent candidate for implementation of real-space renormalization in higher dimensions, and discuss some of the details and the remaining challenges in 3D. \n \nSecond, we show how certain topological conformal defects of critical lattice theories can be represented as tensor networks, using the 2D classical Ising model as an example. Furthermore, we show how such tensor network descriptions, combined with a renormalization group algorithm, can be used to obtain accurate estimates of the universal properties of these defects. We also show how coarse-graining of defects can be applied to any conformal defect (i.e. not just topological ones), and yields a set of associated scaling dimensions. \n \nFinally, we leave behind the focus on renormalization group methods, and present a method for spatially resolving the overlap between two tensor network states, to obtain localized information about the similarities and differences between them. For a given region, the similarity of two states in this region can be quantified by the Uhlmann fidelity of their reduced density matrices, and we show how such fidelities can be efficiently computed in many cases when the two states are represented as tensor networks. We demonstrate the usefulness of evaluating such subsystem fidelities with three example applications: studying local quenches, comparing critical and non-critical states, and quantifying convergence in tensor network simulations.