mlsanityData to 7 Oct 2026

Quantum Dynamics via Score Matching on Bohmian Trajectories

arXiv 2604.25137 ↗First posted 28 Apr 2026quant-ph cs.LG physics.chem-phcited by 0

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Abstract (arXiv)

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.

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References · 18

  1. 2020Score-Based Generative Modeling through Stochastic Differential Equationscited by 8,964
  2. 2022Flow Matching for Generative Modelingcited by 5,426
  3. 2019Generative Modeling by Estimating Gradients of the Data Distributioncited by 4,067
  4. 2018Neural Ordinary Differential Equationscited by 3,733
  5. 2022Flow Straight and Fast: Learning to Generate and Transfer Data with Rectified Flowcited by 3,550
  6. 2017FiLM: Visual Reasoning with a General Conditioning Layercited by 2,286
  7. 2022Building Normalizing Flows with Stochastic Interpolantscited by 964
  8. 2016Training Deep Nets with Sublinear Memory Costcited by 825
  9. 2018FFJORD: Free-form Continuous Dynamics for Scalable Reversible Generative Modelscited by 584
  10. 2020Interacting particle solutions of Fokker-Planck equations through gradient-log-density estimationcited by 87
  11. 2018Monge-Amp`ere Flow for Generative Modelingcited by 33
  12. 2022Self-Consistency of the Fokker-Planck Equationcited by 18
6 more
  1. 2023Self-Consistent Velocity Matching of Probability Flowscited by 17
  2. 2021Ab-initio study of interacting fermions at finite temperature with neural canonical transformationcited by 16
  3. 2022m^ast of two-dimensional electron gas: a neural canonical transformation studycited by 7
  4. 2023Deep Stochastic Mechanicscited by 2
  5. 2025Deep Variational Free Energy Calculation of Hydrogen Hugoniotcited by 2
  6. 2025Adaptive Probability Flow Residual Minimization for High-Dimensional Fokker-Planck Equationscited by 1

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