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