- Open Access
Variational preparation of normal matrix product states on quantum computers
Phys. Rev. Research 8, 013081 – Published 26 January, 2026
DOI: https://doi.org/10.1103/m5kb-4f43
Abstract
Preparing matrix product states (MPSs) on quantum computers is an essential routine in the simulation of many-body physics. However, widely used schemes based on staircase circuits are often too deep to execute on current hardware. Here, we demonstrate that MPSs with short-range correlations can be prepared with shallow circuits by leveraging heuristics from approximate quantum compiling (AQC). We achieve this with ADAPT-AQC, an adaptive-ansatz preparation algorithm, and introduce a generalized initialization procedure for the existing AQC-Tensor algorithm. We first compare these methods for the task of preparing a molecular electronic structure ground state. We then use them to prepare an antiferromagnetic (AFM) ground state of the 50-site Heisenberg XXZ spin chain near the AFM-XY phase boundary. Through the execution of circuits with up to 59 cz depth and 1251 cz gates, we perform a global quench and observe the relaxation of magnetic ordering in a parameter regime previously inaccessible due to deep ground-state preparation circuits. Our results demonstrate how the integration of quantum and classical resources can push the boundary of what can be studied on quantum computers.
Physics Subject Headings (PhySH)
Article Text
References (91)
- C. Schön, E. Solano, F. Verstraete, J. I. Cirac, and M. M. Wolf, Sequential generation of entangled multiqubit states, Phys. Rev. Lett. 95, 110503 (2005).
- S.-J. Ran, Encoding of matrix product states into quantum circuits of one-and two-qubit gates, Phys. Rev. A 101, 032310 (2020).
- S.-H. Lin, R. Dilip, A. G. Green, A. Smith, and F. Pollmann, Real-and imaginary-time evolution with compressed quantum circuits, PRX Quantum 2, 010342 (2021).
- M. S. Rudolph, J. Chen, J. Miller, A. Acharya, and A. Perdomo-Ortiz, Decomposition of matrix product states into shallow quantum circuits, Quantum Sci. Technol. 9, 015012 (2024).
- B. Anselme Martin, T. Ayral, F. Jamet, M. J. Rančić, and P. Simon, Combining matrix product states and noisy quantum computers for quantum simulation, Phys. Rev. A 109, 062437 (2024).
- J. Dborin, F. Barratt, V. Wimalaweera, L. Wright, and A. G. Green, Matrix product state pre-training for quantum machine learning, Quantum Sci. Technol. 7, 035014 (2022).
- A. Smith, B. Jobst, A. G. Green, and F. Pollmann, Crossing a topological phase transition with a quantum computer, Phys. Rev. Res. 4, L022020 (2022).
- N. Robertson, A. Akhriev, J. Vala, and S. Zhuk, Approximate quantum compiling for quantum simulation: A tensor network based approach, ACM Trans. Quantum Comput. 6, 1 (2025).
- J. R. Garrison, K. Marshall, I. Shehzad, K. J. Sung, C. Johnson, M. Rossmannek, B. Fuller, J. R. Glick, A. Akhriev, S. Zhuk, and N. F. Robertson, Qiskit addon: Approximate quantum compilation with tensor networks (2024), https://github.com/Qiskit/qiskit-addon-aqc-tensor.
- M. Lubasch, J. Joo, P. Moinier, M. Kiffner, and D. Jaksch, Variational quantum algorithms for nonlinear problems, Phys. Rev. A 101, 010301(R) (2020).
- A. A. Melnikov, A. A. Termanova, S. V. Dolgov, F. Neukart, and M. Perelshtein, Quantum state preparation using tensor networks, Quantum Sci. Technol. 8, 035027 (2023).
- C. Mc Keever and M. Lubasch, Classically optimized Hamiltonian simulation, Phys. Rev. Res. 5, 023146 (2023).
- T. Jones and S. C. Benjamin, Robust quantum compilation and circuit optimisation via energy minimisation, Quantum 6, 628 (2022).
- K. Sharma, S. Khatri, M. Cerezo, and P. J. Coles, Noise resilience of variational quantum compiling, New J. Phys. 22, 043006 (2020).
- D. Perez-Garcia, F. Verstraete, M. M. Wolf, and J. I. Cirac, Matrix product state representations, Quantum Inf. Comput. 7, 401 (2007).
- J. I. Cirac, D. Perez-Garcia, N. Schuch, and F. Verstraete, Matrix product states and projected entangled pair states: Concepts, symmetries, theorems, Rev. Mod. Phys. 93, 045003 (2021).
- J. I. Cirac, D. Perez-Garcia, N. Schuch, and F. Verstraete, Matrix product density operators: Renormalization fixed points and boundary theories, Ann. Phys. 378, 100 (2017).
- K. C. Smith, A. Khan, B. K. Clark, S. Girvin, and T.-C. Wei, Constant-depth preparation of matrix product states with adaptive quantum circuits, arXiv:2404.16083.
- Z.-Y. Wei, D. Malz, and J. I. Cirac, Efficient adiabatic preparation of tensor network states, Phys. Rev. Res. 5, L022037 (2023).
- D. Malz, G. Styliaris, Z.-Y. Wei, and J. I. Cirac, Preparation of matrix product states with log-depth quantum circuits, Phys. Rev. Lett. 132, 040404 (2024).
- R. Haghshenas, J. Gray, A. C. Potter, and G. K.-L. Chan, Variational power of quantum circuit tensor networks, Phys. Rev. X 12, 011047 (2022).
- H. R. Grimsley, S. E. Economou, E. Barnes, and N. J. Mayhall, An adaptive variational algorithm for exact molecular simulations on a quantum computer, Nat. Commun. 10, 3007 (2019).
- L. Zhu, H. L. Tang, G. S. Barron, F. A. Calderon-Vargas, N. J. Mayhall, E. Barnes, and S. E. Economou, Adaptive quantum approximate optimization algorithm for solving combinatorial problems on a quantum computer, Phys. Rev. Res. 4, 033029 (2022).
- B. Jaderberg, A. Agarwal, K. Leonhardt, M. Kiffner, and D. Jaksch, Minimum hardware requirements for hybrid quantum–classical dmft, Quantum Sci. Technol. 5, 034015 (2020).
- T. A. Chowdhury, K. Yu, M. A. Shamim, M. L. Kabir, and R. S. Sufian, Enhancing quantum utility: Simulating large-scale quantum spin chains on superconducting quantum computers, Phys. Rev. Res. 6, 033107 (2024).
- L. B. Oftelie, M. Urbanek, M. Metcalf, J. Carter, A. F. Kemper, and W. A. de Jong, Simulating quantum materials with digital quantum computers, Quantum Sci. Technol. 6, 043002 (2021).
- F. Jamet, L. P. Lindoy, Y. Rath, C. Lenihan, A. Agarwal, E. Fontana, F. Simkovic, B. A. Martin, and I. Rungger, Anderson impurity solver integrating tensor network methods with quantum computing, APL Quantum 2, 016121 (2025).
- S. Khatri, R. LaRose, A. Poremba, L. Cincio, A. T. Sornborger, and P. J. Coles, Quantum-assisted quantum compiling, Quantum 3, 140 (2019).
- M. Otten, C. L. Cortes, and S. K. Gray, Noise-resilient quantum dynamics using symmetry-preserving ansatzes, arXiv:1910.06284.
- S. Barison, F. Vicentini, and G. Carleo, An efficient quantum algorithm for the time evolution of parameterized circuits, Quantum 5, 512 (2021).
- N. F. Berthusen, T. V. Trevisan, T. Iadecola, and P. P. Orth, Quantum dynamics simulations beyond the coherence time on noisy intermediate-scale quantum hardware by variational trotter compression, Phys. Rev. Res. 4, 023097 (2022).
- A. Javadi-Abhari, M. Treinish, K. Krsulich, C. J. Wood, J. Lishman, J. Gacon, S. Martiel, P. D. Nation, L. S. Bishop, A. W. Cross, B. R. Johnson, and J. M. Gambetta, Quantum computing with Qiskit, arXiv:2405.08810.
- S. R. White, Density matrix formulation for quantum renormalization groups, Phys. Rev. Lett. 69, 2863 (1992).
- U. Schollwöck, The density-matrix renormalization group in the age of matrix product states, Ann. Phys. 326, 96 (2011).
- N. F. Robertson, A. Akhriev, J. Vala, and S. Zhuk, Escaping barren plateaus in approximate quantum compiling, arXiv:2210.09191.
- J. Zhang, J. Vala, S. Sastry, and K. B. Whaley, Geometric theory of nonlocal two-qubit operations, Phys. Rev. A 67, 042313 (2003).
- C. Zhu, R. H. Byrd, P. Lu, and J. Nocedal, Algorithm 778: L-BFGS-B: Fortran subroutines for large-scale bound-constrained optimization, ACM Trans. Math. Software 23, 550 (1997).
- D. P. Kingma, Adam: A method for stochastic optimization, arXiv:1412.6980.
- R. Puig, M. Drudis, S. Thanasilp, and Z. Holmes, Variational quantum simulation: A case study for understanding warm starts, PRX Quantum 6, 010317 (2025).
- Y. Wang, B. Qi, C. Ferrie, and D. Dong, Trainability enhancement of parameterized quantum circuits via reduced-domain parameter initialization, Phys. Rev. Appl. 22, 054005 (2024).
- C.-Y. Park and N. Killoran, Hamiltonian variational ansatz without barren plateaus, Quantum 8, 1239 (2024).
- N. Fitzpatrick, H. Apel, and D. M. Ramo, Evaluating low-depth quantum algorithms for time evolution on fermion-boson systems, arXiv:2106.03985.
- A. Haukisalmi, M. Raasakka, and I. Tittonen, Comparing resource requirements of noisy quantum simulation algorithms for the Tavis-Cummings model, arXiv:2402.16692.
- B. Jaderberg, L. W. Anderson, W. Xie, S. Albanie, M. Kiffner, and D. Jaksch, Quantum self-supervised learning, Quantum Sci. Technol. 7, 035005 (2022).
- B. Jaderberg, A. Eisfeld, D. Jaksch, and S. Mostame, Recompilation-enhanced simulation of electron–phonon dynamics on IBM quantum computers, New J. Phys. 24, 093017 (2022).
- B. Jaderberg, Solving optimisation problems on near-term quantum computers, Ph.D. thesis, University of Oxford, 2022.
- B. Jaderberg, G. Pennington, K. V. Marshall, L. W. Anderson, A. Agarwal, L. P. Lindoy, I. Rungger, S. Mensa, and J. Crain, Adaptive approximate quantum compiling (adapt-aqc) (2025), https://github.com/qiskit-community/adapt-aqc/.
- M. Ostaszewski, E. Grant, and M. Benedetti, Structure optimization for parameterized quantum circuits, Quantum 5, 391 (2021).
- D. Haag, F. Baccari, and G. Styliaris, Typical correlation length of sequentially generated tensor network states, PRX Quantum 4, 030330 (2023).
- C. Lancien and D. Pérez-García, Correlation length in random MPS and PEPS, Ann. Henri Poincaré 23, 141 (2022).
- S. Garnerone, T. R. de Oliveira, S. Haas, and P. Zanardi, Statistical properties of random matrix product states, Phys. Rev. A 82, 052312 (2010).
- D. A. Millar, G. W. Pennington, N. T. M. Siow, and S. J. Thomson, Qiskit-community/mps-to-circuit, Zenodo (2025), https://doi.org/10.5281/zenodo.14920028.
- L. Madden, A. Akhriev, and A. Simonetto, Sketching the best approximate quantum compiling problem, in Proceedings of the 2022 IEEE International Conference on Quantum Computing and Engineering (QCE) (IEEE, Broomfield, CO, USA, 2022), pp. 492–502.
- L. Madden and A. Simonetto, Best approximate quantum compiling problems, ACM Trans. Quantum Comput. 3, 1 (2022).
- S. Hammes-Schiffer and A. A. Stuchebrukhov, Theory of coupled electron and proton transfer reactions, Chem. Rev. 110, 6939 (2010).
- A. J. Kirby, Efficiency of proton transfer catalysis in models and enzymes, Acc. Chem. Res. 30, 290 (1997).
- S. Hammes-Schiffer, Nuclear–electronic orbital methods: Foundations and prospects, J. Chem. Phys. 155, 030901 (2021).
- T. Hammer and U. Manthe, Intramolecular proton transfer in malonaldehyde: Accurate multilayer multi-configurational time-dependent Hartree calculations, J. Chem. Phys. 134, 224305 (2011).
- M. Schröder, F. Gatti, and H.-D. Meyer, Theoretical studies of the tunneling splitting of malonaldehyde using the multiconfiguration time-dependent Hartree approach, J. Chem. Phys. 134, 234307 (2011).
- S. P. Webb, T. Iordanov, and S. Hammes-Schiffer, Multiconfigurational nuclear-electronic orbital approach: Incorporation of nuclear quantum effects in electronic structure calculations, J. Chem. Phys. 117, 4106 (2002).
- F. Pavošević, T. Culpitt, and S. Hammes-Schiffer, Multicomponent quantum chemistry: Integrating electronic and nuclear quantum effects via the nuclear–electronic orbital method, Chem. Rev. 120, 4222 (2020).
- A. Kovyrshin, M. Skogh, L. Tornberg, A. Broo, S. Mensa, E. Sahin, B. C. Symons, J. Crain, and I. Tavernelli, Nonadiabatic nuclear–electron dynamics: A quantum computing approach, J. Phys. Chem. Lett. 14, 7065 (2023).
- A. Kovyrshin, D. Manawadu, E. Altamura, G. Pennington, B. Jaderberg, S. Brandhofer, A. Nykänen, A. Miller, W. Talarico, S. Knecht, F. Pavošević, A. Baiardi, F. Tacchino, I. Tavernelli, S. Mensa, J. Crain, L. Tornberg, and A. Broo, Approximate quantum circuit compilation for proton-transfer kinetics on quantum processors, arXiv:2507.08996.
- C. Sosa, J. Geertsen, G. W. Trucks, R. J. Bartlett, and J. A. Franz, Selection of the reduced virtual space for correlated calculations. An application to the energy and dipole moment of , Chem. Phys. Lett. 159, 148 (1989).
- A. Nykänen, A. Miller, W. Talarico, S. Knecht, A. Kovyrshin, M. Skogh, L. Tornberg, A. Broo, S. Mensa, B. C. Symons, Toward accurate post-Born–Oppenheimer molecular simulations on quantum computers: An adaptive variational eigensolver with nuclear-electronic frozen natural orbitals, J. Chem. Theory Comput. 19, 9269 (2023).
- B. G. Levine, A. S. Durden, M. P. Esch, F. Liang, and Y. Shu, CAS without SCF—why to use CASCI and where to get the orbitals, J. Chem. Phys. 154, 090902 (2021).
- A. Kovyrshin, D. Manawadu, E. Altamura, G. Pennington, B. Jaderberg, S. Brandhofer, A. Nykänen, A. Miller, W. Talarico, S. Knecht, et al., Approximate quantum circuit compilation for proton-transfer kinetics on quantum processors (2025), https://github.com/stfc/quantum-neo-dynamics.
- A. Mitra, Quantum quench dynamics, Annu. Rev. Condens. Matter Phys. 9, 245 (2018).
- P. Calabrese, Fabian H. L. Essler, and M. Fagotti, Quantum quench in the transverse-field Ising chain, Phys. Rev. Lett. 106, 227203 (2011).
- A. Agarwal, M. Hughes, and J. Mur-Petit, Phase diagram and post-quench dynamics in a double spin-chain system in transverse fields, arXiv:2111.07831.
- P. Barmettler, M. Punk, V. Gritsev, E. Demler, and E. Altman, Relaxation of antiferromagnetic order in spin-1/2 chains following a quantum quench, Phys. Rev. Lett. 102, 130603 (2009).
- M. Fagotti, M. Collura, F. H. L. Essler, and P. Calabrese, Relaxation after quantum quenches in the spin- Heisenberg XXZ chain, Phys. Rev. B 89, 125101 (2014).
- P. Barmettler, M. Punk, V. Gritsev, E. Demler, and E. Altman, Quantum quenches in the anisotropic spin-Heisenberg chain: Different approaches to many-body dynamics far from equilibrium, New J. Phys. 12, 055017 (2010).
- F. B. Ramos, A. Urichuk, I. Schneider, and J. Sirker, Power-law decay of correlations after a global quench in the massive XXZ chain, Phys. Rev. B 107, 075138 (2023).
- J. Hauschild et al., Tensor network python (tenpy) version 1, SciPost Phys. Codebases 41 (2024).
- M. V. Rakov, M. Weyrauch, and B. Braiorr-Orrs, Symmetries and entanglement in the one-dimensional spin- XXZ model, Phys. Rev. B 93, 054417 (2016).
- IBM Quantum Platform (2024), https://quantum-computing.ibm.com/.
- E. Grant, L. Wossnig, M. Ostaszewski, and M. Benedetti, An initialization strategy for addressing barren plateaus in parametrized quantum circuits, Quantum 3, 214 (2019).
- M. Suzuki, Generalized Trotter's formula and systematic approximants of exponential operators and inner derivations with applications to many-body problems, Commun. Math. Phys. 51, 183 (1976).
- E. van den Berg, Z. K. Minev, and K. Temme, Model-free readout-error mitigation for quantum expectation values, Phys. Rev. A 105, 032620 (2022).
- J. J. Wallman and J. Emerson, Noise tailoring for scalable quantum computation via randomized compiling, Phys. Rev. A 94, 052325 (2016).
- K. Temme, S. Bravyi, and J. M. Gambetta, Error mitigation for short-depth quantum circuits, Phys. Rev. Lett. 119, 180509 (2017).
- J. Haegeman, J. I. Cirac, T. J. Osborne, I. Pižorn, H. Verschelde, and F. Verstraete, Time-dependent variational principle for quantum lattices, Phys. Rev. Lett. 107, 070601 (2011).
- Y. Kim, A. Eddins, S. Anand, K. X. Wei, E. Van Den Berg, S. Rosenblatt, H. Nayfeh, Y. Wu, M. Zaletel, K. Temme, et al., Evidence for the utility of quantum computing before fault tolerance, Nature (London) 618, 500 (2023).
- S. Anand, K. Temme, A. Kandala, and M. Zaletel, Classical benchmarking of zero noise extrapolation beyond the exactly-verifiable regime, arXiv:2306.17839.
- J. Tindall and M. Fishman, Gauging tensor networks with belief propagation, SciPost Phys. 15, 222 (2023).
- J. Tindall, M. Fishman, E. M. Stoudenmire, and D. Sels, Efficient tensor network simulation of IBM's eagle kicked Ising experiment, PRX Quantum 5, 010308 (2024).
- S. Yang, H.-Q. Lin, and X.-J. Yu, Gapless topological behaviors in a long-range quantum spin chain, Commun. Phys. 8, 27 (2025).
- B. Pozsgay, Overlaps between eigenstates of the XXZ spin-1/2 chain and a class of simple product states, J. Stat. Mech.: Theory Exp. (2014) P06011.
- M. Brockmann and J.-M. Stéphan, Universal terms in the overlap of the ground state of the spin-1/2 XXZ chain with the Néel state, J. Phys. A: Math. Theor. 50, 354001 (2017).
- R. Majumdar, P. Rivero, F. Metz, A. Hasan, and D. S. Wang, Best practices for quantum error mitigation with digital zero-noise extrapolation, in Proceedings of the 2023 IEEE International Conference on Quantum Computing and Engineering (QCE) (IEEE, Bellevue, WA, USA, 2023), Vol. 1, pp. 881–887.