English

Quantum Dynamics via Score Matching on Bohmian Trajectories

Quantum Physics 2026-04-29 v1 Machine Learning Chemical Physics Computational Physics

Abstract

We solve the time-dependent Schr\"odinger equation by learning the score function, the gradient of the log-probability density, on Bohmian trajectories. In Bohm's formulation of quantum mechanics, particles follow deterministic paths under the classical potential supplemented by a quantum potential depending on the score function of the evolving density. These non-crossing Bohmian trajectories form a continuous normalizing flow governed by the score. We parametrize the score with a neural network and minimize a self-consistent Fisher divergence between the network and the score of the resulting density. We prove that the zero-loss minimizer of this self-consistent objective recovers Schr\"odinger dynamics for nodeless wave functions, a condition naturally met in quantum vibrations of atoms. We demonstrate the approach on wavepacket splitting in a double-well potential and anharmonic vibrations of a Morse chain. By recasting real-time quantum dynamics as a self-consistent score-driven normalizing flow, this framework opens the time-dependent Schr\"odinger equation to the rapidly advancing toolkit of modern generative modeling.

Keywords

Cite

@article{arxiv.2604.25137,
  title  = {Quantum Dynamics via Score Matching on Bohmian Trajectories},
  author = {Lei Wang},
  journal= {arXiv preprint arXiv:2604.25137},
  year   = {2026}
}

Comments

8 pages, 5 figues, code at https://github.com/wangleiphy/BohmianFlow

R2 v1 2026-07-01T12:38:22.055Z