A new variational flow model framework to compute dynamical partition functions and trajectory thermodynamics in high-dimensional stochastic systems.
Quantum Dynamics via Score Matching on Bohmian Trajectories
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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.
fields
cond-mat.stat-mech 1years
2026 1verdicts
UNVERDICTED 1representative citing papers
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Dynamical Partition Functions of Stochastic Dynamics via Variational Flows
A new variational flow model framework to compute dynamical partition functions and trajectory thermodynamics in high-dimensional stochastic systems.