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arXiv:2512.13548

Tensor Network Formulation of Dequantized Algorithms for Ground State Energy Estimation

Hidetaka Manabe, Takanori Sugimoto, Keisuke Fujii

quant-phSubmitted Dec 15, 2025• Announced Dec 16, 2025• 0 citations
arXivHTMLPDF

Abstract

Verifying quantum advantage for practical problems, particularly the ground state energy estimation (GSEE) problem, is one of the central challenges in quantum computing theory. For that purpose, dequantization algorithms play a central role in providing a clear theoretical framework to separate the complexity of quantum and classical algorithms. However, existing dequantized algorithms typically rely on sampling procedures, leading to prohibitively large computational overheads and hindering their practical implementation on classical computers. In this work, we propose a tensor network-based dequantization framework for GSEE that eliminates the sampling process while preserving the asymptotic complexity of prior dequantized algorithms. In our formulation, the overhead arising from sampling is replaced by the growth of the bond dimension required to represent Chebyshev vectors as tensor network states. Consequently, physical structure, such as entanglement and locality, is naturally reflected in the computational cost. By combining this approach with tensor network approximations, such as Matrix Product States (MPS), we construct a practical dequantization algorithm that is executable within realistic computational resources. Numerical simulations demonstrate that our method can efficiently construct high-degree polynomials up to $d=10^4$ for Hamiltonians with up to $100$ qubits, explicitly revealing the crossover between classically tractable and quantum advantaged regimes. These results indicate that tensor network-based dequantization provides a crucial tool toward the rigorous, quantitative verification of quantum advantage in realistic many-body systems.

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21 pages, 12 figures

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Verifying quantum advantage for practical problems, particularly the ground state energy estimation (GSEE) problem, is one of the central challenges in quantum computing theory. For that purpose, dequantization algorithms play a central role in providing a clear theoretical framework to separate the complexity of quantum and classical algorithms. However, existing dequantized algorithms typically rely on sampling procedures, leading to prohibitively large computational overheads and hindering their practical implementation on classical computers. In this work, we propose a tensor network-based dequantization framework for GSEE that eliminates the sampling process while preserving the asymptotic complexity of prior dequantized algorithms. In our formulation, the overhead arising from sampling is replaced by the growth of the bond dimension required to represent Chebyshev vectors as tensor network states. Consequently, physical structure, such as entanglement and locality, is naturally reflected in the computational cost. By combining this approach with tensor network approximations, such as Matrix Product States (MPS), we construct a practical dequantization algorithm that is executable within realistic computational resources. Numerical simulations demonstrate that our method can efficiently construct high-degree polynomials up to d=104d=10^4d=104 for Hamiltonians with up to 100100100 qubits, explicitly revealing the crossover between classically tractable and quantum advantaged regimes. These results indicate that tensor network-based dequantization provides a crucial tool toward the rigorous, quantitative verification of quantum advantage in realistic many-body systems.
The study of interacting quantum many-body systems is one of the central challenges in modern physics. Interestingly, by understanding the physical properties of such systems from a microscopic description, one can explain many complex quantum phenomena such as the high-temperature superconductivity, fractional quantum Hall effect, etc. However, due to high complexity of these systems, theoretical investigations such as analytical and perturbation theories are limited to studying only a small subset of problems. In the past few decades, numerical simulation has emerged as an indispensable method for studying many phenomena, and has led to immense success and progress in recent years. The main obstacle in addressing quantum many-body systems is that the number of parameters required to represent a state of the system scales exponentially with the system size. However, one hardly needs the full Hilbert space but only a small subspace to describe physical properties of the system. From the point of view in quantum information theory, quantum entanglement is one of the main factors that is responsible for the complexity of studying quantum many-body systems. In particular, the amount of quantum entanglement in such system quantifies the correlation between constituents and therefore it determines how big the subspace is required to represent the system. In this thesis, we are interested in using tensor network states, a new emerging numerical technique to study dynamical and ground state properties of the system. The key ingredient is that a tensor network state which consists of a fairly small number of parameters can represent very well the complete wave function of a system. In one spatial dimension, Matrix Product State (MPS) has become a standard tool, combined with related algorithms such as Time Evolving Block Decimation algorithm (TEBD) to study dynamical properties of a locally-perturbed quantum lattice system. In this thesis, we introduce a technique called ``infinite boundary conditions'' that allows us to use a finite-size MPS to represent the state of an infinite-size system. As a result, one can simulate dynamics of a system for a longer time with a significant computational cost reduction compared to traditional methods. In two spatial dimensions, the tensor network known as Projected Entangled Pair States (PEPS) is emerging as a useful approach. However algorithms for optimizing the matrix elements of these tensors are complex and not very efficient. In particular, the efficiency of the optimization depends critically on the quality of the so-called ``environment'', which is expensive to compute. We have introduced a new method to accelerate the convergence of calculating the PEPS ground state by recycling the environment tensors for many optimization steps, vastly reducing the number of times that the full environment needs to be calculated.
The classical simulation of many-body quantum systems is an essential tool in understanding many fundamental aspects of condensed matter physics. But a major obstacle arises from the number of degrees of freedom involved in describing such systems, which is exponential in the system size. Recently, however, a class of numerical techniques based on structures called "tensor networks" has emerged, which allows many "typical" quantum states (such as the ground states of gapped, local Hamiltonians) to be represented much more efficiently. In this work we extend and apply these techniques to consider several central topics in quantum many-body physics. After reviewing the relevant background material from the field of tensor networks and tensor network states, we demonstrate a method for computing high order moments and cumulants of operators with respect to such states, including the so-called "Binder cumulant," a powerful tool for detecting phase transitions. Next, we employ tensor network algorithms to characterize the ground state phase diagram of a quantum spin model, including both symmetry-breaking phases and symmetry protected topological order, and find a signicant variety of phases and phase transitions. Finally, we consider the entanglement properties of quantum states exhibiting many-body localization, using a combination of exact diagonalization and tensor network techniques. | 231 pages
The success of polynomial-time tensor network methods for computing ground states of certain quantum local Hamiltonians has recently been given a sound theoretical basis by Arad et al. [Math. Phys. 356, 65 (2017)]. The convergence proof, however, relies on ``rigorous renormalization group'' (RRG) techniques which differ fundamentally from existing algorithms. We introduce a practical adaptation of the RRG procedure which, while no longer theoretically guaranteed to converge, finds matrix product state ansatz approximations to the ground spaces and low-lying excited spectra of local Hamiltonians in realistic situations. In contrast to other schemes, RRG does not utilize variational methods on tensor networks. Rather, it operates on subsets of the system Hilbert space by constructing approximations to the global ground space in a treelike manner. We evaluate the algorithm numerically, finding similar performance to density matrix renormalization group (DMRG) in the case of a gapped nondegenerate Hamiltonian. Even in challenging situations of criticality, large ground-state degeneracy, or long-range entanglement, RRG remains able to identify candidate states having large overlap with ground and low-energy eigenstates, outperforming DMRG in some cases.
This paper explores the application of tensor network methods for simulating molecular dynamics on quantum computers. Traditional molecular dynamics simulations are computationally expensive, particularly for complex systems exhibiting strong quantum correlations. Tensor networks provide a powerful framework for representing and manipulating high-dimensional quantum states, potentially offering a pathway to efficiently simulate molecular dynamics by directly leveraging quantum computational resources. This work details the theoretical framework, outlining how tensor network techniques, specifically Matrix Product States (MPS) and Tree Tensor Networks (TTN), can be adapted for this purpose. We present a simplified model of a diatomic molecule to illustrate the core concept: the construction of a tensor network representation of the molecular wavefunction, followed by the application of time evolution operators to simulate dynamics. The focus is on demonstrating the potential of this approach rather than a fully optimized simulation, highlighting key challenges and future research directions. The efficiency gains compared to classical methods are discussed, acknowledging the significant technological hurdles involved in realizing this approach on near-term quantum devices. We investigate the scalability of the method, considering the limitations imposed by the bond dimension of the tensor network. The ultimate goal is to demonstrate how tensor networks can provide a viable strategy for tackling computationally intractable molecular dynamics problems, paving the way for a new era of quantum-enhanced molecular simulations.
Matrix product states (MPS) are a central language for one-dimensional quantum matter and a practical target for near-term quantum simulators and variational algorithms. Yet, while substantial effort has focused on preparing MPS with shallow circuits, scalable methods to \emph{verify} that a many-body device has actually produced the intended state remain underdeveloped. Direct fidelity estimation (DFE) relies only on local Pauli measurements, but in many-body settings it suffers an exponential classical overhead from the preprocessing needed to sample Pauli strings. We eliminate this obstacle by introducing an \emph{autoregressive} importance sampler that draws Pauli strings sequentially from efficiently computable conditional distributions, reducing the per-shot classical overhead to linear scaling in the number of qubits. We further develop a grouped extension that constructs qubit-wise commuting measurement settings via a \emph{sorting string} and simultaneously estimates the entire commuting group from a single setting, significantly reducing estimator variance while preserving efficient postprocessing. Our approach extends naturally to matrix product operators (MPO), enabling scalable verification of tensor-network states and observables in long one-dimensional quantum systems. We utilize random MPS as a natural benchmark for generic 1D entangled states.
Tensor network states (TNS) methods combined with the Monte Carlo (MC) technique have been proven a powerful algorithm for simulating quantum many-body systems. However, because the ground state energy is a highly non-linear function of the tensors, it is easy to get stuck in local minima when optimizing the TNS of the simulated physical systems. To overcome this difficulty, we introduce a replica-exchange molecular dynamics optimization algorithm to obtain the TNS ground state, based on the MC sampling technique, by mapping the energy function of the TNS to that of a classical mechanical system. The method is expected to effectively avoid local minima. We make benchmark tests on a 1D Hubbard model based on matrix product states (MPS) and a Heisenberg J1-J2 model on square lattice based on string bond states (SBS). The results show that the optimization method is robust and efficient compared to the existing results.