Fidelity and Overlap of Neural Quantum States: Error Bounds on the Monte Carlo Estimator
Abstract: Overlap between two neural quantum states can be computed through Monte Carlo sampling by evaluating the unnormalized probability amplitudes on a subset of basis configurations. Due to the presence of probability amplitude ratios in the estimator, which are possibly unbounded, convergence of this quantity is not immediately obvious. Our work provides a derivation of analytical error bounds on the overlap in the Monte Carlo calculations as a function of their fidelity and the number of samples. Special case of normalized autoregressive neural quantum states is analyzed separately.
- A. W. Sandvik, A. Avella, and F. Mancini, Computational studies of quantum spin systems, in AIP Conference Proceedings (AIP, 2010).
- D. Ceperley and B. Alder, Quantum monte carlo, Science 231, 555 (1986).
- M. Troyer and U.-J. Wiese, Computational complexity and fundamental limitations to fermionic quantum monte carlo simulations, Phys. Rev. Lett. 94, 170201 (2005).
- 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, Annals of Physics 326, 96 (2011), january 2011 Special Issue.
- R. Orús, A practical introduction to tensor networks: Matrix product states and projected entangled pair states, Annals of Physics 349, 117 (2014).
- G. Carleo and M. Troyer, Solving the quantum many-body problem with artificial neural networks, Science 355, 602 (2017).
- O. Sharir, A. Shashua, and G. Carleo, Neural tensor contractions and the expressive power of deep neural quantum states, Physical Review B 106, 10.1103/physrevb.106.205136 (2022).
- S.-H. Lin and F. Pollmann, Scaling of neural-network quantum states for time evolution, physica status solidi (b) 259, 2100172 (2022).
- Z. Denis, A. Sinibaldi, and G. Carleo, Comment on ”can neural quantum states learn volume-law ground states?” (2023), arXiv:2309.11534 [quant-ph] .
- M. Schmitt and M. Heyl, Quantum many-body dynamics in two dimensions with artificial neural networks, Physical Review Letters 125, 10.1103/physrevlett.125.100503 (2020).
- N. Yoshioka and R. Hamazaki, Constructing neural stationary states for open quantum many-body systems, Physical Review B 99, 10.1103/physrevb.99.214306 (2019).
- M. J. Hartmann and G. Carleo, Neural-network approach to dissipative quantum many-body dynamics, Phys. Rev. Lett. 122, 250502 (2019).
- M. Reh, M. Schmitt, and M. Gärttner, Time-dependent variational principle for open quantum systems with artificial neural networks, Phys. Rev. Lett. 127, 230501 (2021).
- H.-Q. Zhou, R. Orús, and G. Vidal, Ground state fidelity from tensor network representations, Phys. Rev. Lett. 100, 080601 (2008).
- B. Damski, Fidelity approach to quantum phase transitions in quantum ising model, in Quantum Criticality in Condensed Matter (WORLD SCIENTIFIC, 2015).
- S. T. Flammia and Y.-K. Liu, Direct fidelity estimation from few Pauli measurements, Phys. Rev. Lett. 106, 230501 (2011).
- V. Havlicek, Amplitude ratios and neural network quantum states, Quantum 7, 938 (2023).
- D. Wu, L. Wang, and P. Zhang, Solving statistical mechanics using variational autoregressive networks, Phys. Rev. Lett. 122, 080602 (2019).
- I. L. Gutiérrez and C. B. Mendl, Real time evolution with neural-network quantum states, Quantum 6, 627 (2022).
- M. Schmitt and M. Reh, jVMC: Versatile and performant variational Monte Carlo leveraging automated differentiation and GPU acceleration, SciPost Phys. Codebases , 2 (2022a).
- M. Schmitt and M. Reh, Codebase release 0.1 for jVMC, SciPost Phys. Codebases , 2 (2022b).
- D.-A. Clevert, T. Unterthiner, and S. Hochreiter, Fast and accurate deep network learning by exponential linear units (elus) (2016), arXiv:1511.07289 [cs.LG] .
- A. W. Sandvik and G. Vidal, Variational quantum monte carlo simulations with tensor-network states, Physical Review Letters 99, 10.1103/physrevlett.99.220602 (2007).
Paper Prompts
Sign up for free to create and run prompts on this paper using GPT-5.
Top Community Prompts
Collections
Sign up for free to add this paper to one or more collections.