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arXiv:2401.16000 · Springer proceedings in physics

Visualization of Entanglement Geometry by Structural Optimization of Tree Tensor Network

Toshiya Hikihara, Hiroshi Ueda, Kouichi Okunishi, Kenji Harada, Tomotoshi Nishino

Published Jan 1, 2026• 1 citation
arXivHTMLPDF

Abstract

Abstract In tensor-network analysis of quantum many-body systems, it is of crucial importance to employ a tensor network with a spatial structure suitable for representing the state of interest. In the previous work [Hikihara et al., Phys. Rev. Research 5, 013031 (2023)], we proposed a structural optimization algorithm for tree-tensor networks. In this paper, we apply the algorithm to the Rainbow-chain model, which has a product state of singlet pairs between spins separated by various distances as an approximate ground state. We then demonstrate that the algorithm can successfully visualize the spatial pattern of spin-singlet pairs in the ground state.

DOI
10.1007/978-981-92-0844-9_14

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Abstract In tensor-network analysis of quantum many-body systems, it is of crucial importance to employ a tensor network with a spatial structure suitable for representing the state of interest. In the previous work [Hikihara et al., Phys. Rev. Research 5, 013031 (2023)], we proposed a structural optimization algorithm for tree-tensor networks. In this paper, we apply the algorithm to the Rainbow-chain model, which has a product state of singlet pairs between spins separated by various distances as an approximate ground state. We then demonstrate that the algorithm can successfully visualize the spatial pattern of spin-singlet pairs in the ground state.
Numerical methods based on tensor networks have been extensively explored in the research of quantum many-body systems in recent years. It has been recognized that the ability of tensor networks to describe a quantum many-body state crucially depends on the spatial structure of the network. In the previous work [T. Hikihara et al., Phys. Rev. Res. 5, 013031 (2023)], we proposed an algorithm based on tree-tensor networks (TTNs) that automatically optimizes the structure of a TTN according to the spatial profile of entanglement in the state of interest. In this paper, we apply the algorithm to the random XY\mathit{XY}XY-exchange model under random magnetic fields and the Richardson model in order to analyze how the performance of the algorithm depends on the detailed updating schemes of the structural optimization. We then find that for the random XY\mathit{XY}XY model, on the one hand, the algorithm achieves improved accuracy, and the stochastic algorithm, which selects the local network structure probabilistically, is notably effective. For the Richardson model, on the other hand, the resulting numerical accuracy subtly depends on the initial TTN and the updating schemes. In particular, the algorithm without the stochastic updating scheme certainly improves the accuracy, while the one with the stochastic updates results in poor accuracy due to the effect of randomizing the network structure at the early stage of the calculation. These results indicate that the algorithm successfully improves the accuracy of the numerical calculations for quantum many-body states, while it is essential to appropriately choose the updating scheme as well as the initial TTN structure, depending on the systems treated.
The tree tensor network (TTN) provides an essential theoretical framework for the practical simulation of quantum many-body systems, where the network structure defined by the connectivity of the isometry tensors plays a crucial role in improving its approximation accuracy. In this paper, we propose a TTN algorithm that enables us to automatically optimize the network structure by local reconnections of isometries to suppress the bipartite entanglement entropy on their legs. The algorithm can be seamlessly implemented to such a conventional TTN approach as the density-matrix renormalization group. We apply the algorithm to the inhomogeneous antiferromagnetic Heisenberg spin chain, having a hierarchical spatial distribution of the interactions. We then demonstrate that the entanglement structure embedded in the ground state of the system can be efficiently visualized as a perfect binary tree in the optimized TTN. Possible improvements and applications of the algorithm are also discussed.
Tensor network (TN) states, including entanglement renormalization (ER), can encompass a wider variety of entangled states. When the entanglement structure of the quantum state of interest is nonuniform in real space, accurately representing the state with a limited number of degrees of freedom hinges on appropriately configuring the TN to align with the entanglement pattern. However, a proposal has yet to show a structural search of ER due to its high computational cost and the lack of flexibility in its algorithm. In this study, we conducted an optimal structural search of TN, including ER, based on the reconstruction of their local structures with respect to variational energy. First, we demonstrated that our algorithm for the spin- 1 / 2 tetramer singlets model could calculate exact ground energy using the multiscale entanglement renormalization ansatz (MERA) structure as an initial TN structure. Subsequently, we applied our algorithm to the random XY models with the two initial structures: MERA and the suitable structure underlying the strong disordered renormalization group. We found that, in both cases, our algorithm achieves improvements in variational energy, fidelity, and entanglement entropy. The degree of improvement in these quantities is superior in the latter case compared to the former, suggesting that utilizing an existing TN design method as a preprocessing step is important for maximizing our algorithm's performance. Published by the American Physical Society 2024
Abstract We propose the entanglement bipartitioning approach to design an optimal network structure of the tree tensor network (TTN) for quantum many-body systems. Given an exact ground-state wavefunction, we perform sequential bipartitioning of spin-cluster nodes so as to minimize the mutual information or the maximum loss of the entanglement entropy associated with the branch to be bipartitioned. We demonstrate that entanglement bipartitioning of up to 16 sites gives rise to nontrivial tree network structures for S = 1/2 Heisenberg models in one and two dimensions. The resulting TTNs enable us to obtain better variational energies, compared with standard TTNs such as the uniform matrix product state and perfect binary tree tensor network.
We have developed TTNOpt, a software package that utilizes tree tensor networks (TTNs) for quantum spin systems and high-dimensional data analysis. TTNOpt provides efficient and powerful TTN computations by locally optimizing the network structure, guided by the entanglement pattern of the target tensors. For quantum spin systems, TTNOpt searches for the ground state of Hamiltonians with bilinear spin interactions and magnetic fields, and computes physical properties of these states, including the variational energy, bipartite entanglement entropy (EE), single-site expectation values, and two-site correlation functions. Additionally, TTNOpt can target the lowest-energy state within a specified subspace, provided that the Hamiltonian conserves total magnetization. For high-dimensional data analysis, TTNOpt factorizes complex tensors into TTN states that maximize fidelity to the original tensors by optimizing the tensors and the network. When a TTN is provided as input, TTNOpt reconstructs the network based on the EE without referencing the fidelity of the original state. We present three demonstrations of TTNOpt:(1) Ground-state search for the hierarchical chain model with a system size of 256256256. The entanglement patterns of the ground state manifest themselves in a tree structure, and TTNOpt successfully identifies the tree.(2) Factorization of a quantic tensor of the 2242^{24}224 dimensions representing a three-variable function where each variant has a weak bit-wise correlation. The optimized TTN shows that its structure isolates the variables from each other.(3) Reconstruction of the matrix product network representing a 161616-variable normal distribution characterized by a tree-like correlation structure. TTNOpt can reveal hidden correlation structures of the covariance matrix.
We investigate tree tensor network states for quantum chemistry. Tree tensor network states represent one of the simplest generalizations of matrix product states and the density matrix renormalization group. While matrix product states encode a one-dimensional entanglement structure, tree tensor network states encode a tree entanglement structure, allowing for a more flexible description of general molecules. We describe an optimal tree tensor network state algorithm for quantum chemistry. We introduce the concept of half-renormalization which greatly improves the efficiency of the calculations. Using our efficient formulation we demonstrate the strengths and weaknesses of tree tensor network states versus matrix product states. We carry out benchmark calculations both on tree systems (hydrogen trees and π-conjugated dendrimers) as well as non-tree molecules (hydrogen chains, nitrogen dimer, and chromium dimer). In general, tree tensor network states require much fewer renormalized states to achieve the same accuracy as matrix product states. In non-tree molecules, whether this translates into a computational savings is system dependent, due to the higher prefactor and computational scaling associated with tree algorithms. In tree like molecules, tree network states are easily superior to matrix product states. As an illustration, our largest dendrimer calculation with tree tensor network states correlates 110 electrons in 110 active orbitals.