Deep Stochastic Mechanics
- URL: http://arxiv.org/abs/2305.19685v5
- Date: Sun, 7 Jul 2024 17:42:40 GMT
- Title: Deep Stochastic Mechanics
- Authors: Elena Orlova, Aleksei Ustimenko, Ruoxi Jiang, Peter Y. Lu, Rebecca Willett,
- Abstract summary: This paper introduces a novel deep-learning-based approach for numerical simulation of a time-evolving Schr"odinger equation.
Our method allows us to adapt to the latent low-dimensional structure of the wave function by sampling from the Markovian diffusion.
- Score: 17.598067133568062
- License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
- Abstract: This paper introduces a novel deep-learning-based approach for numerical simulation of a time-evolving Schr\"odinger equation inspired by stochastic mechanics and generative diffusion models. Unlike existing approaches, which exhibit computational complexity that scales exponentially in the problem dimension, our method allows us to adapt to the latent low-dimensional structure of the wave function by sampling from the Markovian diffusion. Depending on the latent dimension, our method may have far lower computational complexity in higher dimensions. Moreover, we propose novel equations for stochastic quantum mechanics, resulting in quadratic computational complexity with respect to the number of dimensions. Numerical simulations verify our theoretical findings and show a significant advantage of our method compared to other deep-learning-based approaches used for quantum mechanics.
Related papers
- Efficient Learning for Linear Properties of Bounded-Gate Quantum Circuits [63.733312560668274]
Given a quantum circuit containing d tunable RZ gates and G-d Clifford gates, can a learner perform purely classical inference to efficiently predict its linear properties?
We prove that the sample complexity scaling linearly in d is necessary and sufficient to achieve a small prediction error, while the corresponding computational complexity may scale exponentially in d.
We devise a kernel-based learning model capable of trading off prediction error and computational complexity, transitioning from exponential to scaling in many practical settings.
arXiv Detail & Related papers (2024-08-22T08:21:28Z) - Solving Poisson Equations using Neural Walk-on-Spheres [80.1675792181381]
We propose Neural Walk-on-Spheres (NWoS), a novel neural PDE solver for the efficient solution of high-dimensional Poisson equations.
We demonstrate the superiority of NWoS in accuracy, speed, and computational costs.
arXiv Detail & Related papers (2024-06-05T17:59:22Z) - Hamiltonian simulation for hyperbolic partial differential equations by scalable quantum circuits [1.6268784011387605]
This paper presents a method that enables us to explicitly implement the quantum circuit for Hamiltonian simulation.
We show that the space and time complexities of the constructed circuit are exponentially smaller than those of conventional classical algorithms.
arXiv Detail & Related papers (2024-02-28T15:17:41Z) - Quantum algorithms for linear and non-linear fractional
reaction-diffusion equations [3.409316136755434]
We investigate efficient quantum algorithms for nonlinear fractional reaction-diffusion equations with periodic boundary conditions.
We present a novel algorithm that combines the linear combination of Hamiltonian simulation technique with the interaction picture formalism.
arXiv Detail & Related papers (2023-10-29T04:48:20Z) - D4FT: A Deep Learning Approach to Kohn-Sham Density Functional Theory [79.50644650795012]
We propose a deep learning approach to solve Kohn-Sham Density Functional Theory (KS-DFT)
We prove that such an approach has the same expressivity as the SCF method, yet reduces the computational complexity.
In addition, we show that our approach enables us to explore more complex neural-based wave functions.
arXiv Detail & Related papers (2023-03-01T10:38:10Z) - Calculating non-linear response functions for multi-dimensional
electronic spectroscopy using dyadic non-Markovian quantum state diffusion [68.8204255655161]
We present a methodology for simulating multi-dimensional electronic spectra of molecular aggregates with coupling electronic excitation to a structured environment.
A crucial aspect of our approach is that we propagate the NMQSD equation in a doubled system Hilbert space but with the same noise.
arXiv Detail & Related papers (2022-07-06T15:30:38Z) - Numerical Simulations of Noisy Quantum Circuits for Computational
Chemistry [51.827942608832025]
Near-term quantum computers can calculate the ground-state properties of small molecules.
We show how the structure of the computational ansatz as well as the errors induced by device noise affect the calculation.
arXiv Detail & Related papers (2021-12-31T16:33:10Z) - Arbitrary Marginal Neural Ratio Estimation for Simulation-based
Inference [7.888755225607877]
We present a novel method that enables amortized inference over arbitrary subsets of the parameters, without resorting to numerical integration.
We demonstrate the applicability of the method on parameter inference of binary black hole systems from gravitational waves observations.
arXiv Detail & Related papers (2021-10-01T14:35:46Z) - Manifold learning-based polynomial chaos expansions for high-dimensional
surrogate models [0.0]
We introduce a manifold learning-based method for uncertainty quantification (UQ) in describing systems.
The proposed method is able to achieve highly accurate approximations which ultimately lead to the significant acceleration of UQ tasks.
arXiv Detail & Related papers (2021-07-21T00:24:15Z) - A Quantum Inspired Approach to Exploit Turbulence Structures [0.0]
We introduce a new paradigm for analyzing the structure of turbulent flows by quantifying correlations between different length scales.
We present results for interscale correlations of two paradigmatic flow examples, and use these insights to design a structure-resolving algorithm for simulating turbulent flows.
arXiv Detail & Related papers (2021-06-10T14:33:53Z) - Fixed Depth Hamiltonian Simulation via Cartan Decomposition [59.20417091220753]
We present a constructive algorithm for generating quantum circuits with time-independent depth.
We highlight our algorithm for special classes of models, including Anderson localization in one dimensional transverse field XY model.
In addition to providing exact circuits for a broad set of spin and fermionic models, our algorithm provides broad analytic and numerical insight into optimal Hamiltonian simulations.
arXiv Detail & Related papers (2021-04-01T19:06:00Z)
This list is automatically generated from the titles and abstracts of the papers in this site.
This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.