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Abstract The fast simulation of dynamical systems is a key challenge in many scientific and engineering applications, such as weather forecasting, disease control, and drug discovery. With the recent success of deep learning, there is increasing interest in using neural networks to solve differential equations in a data‐driven manner. However, existing methods are either limited to specific types of differential equations or require large amounts of data for training. This restricts their practicality in many real‐world applications, where data is often scarce or expensive to obtain. To address this, a novel multi‐modal foundation model, namedFMint(FoundationModel based onInitialization) is proposed, to bridge the gap between human‐designed and data‐driven models for the fast simulation of dynamical systems. Built on a decoder‐only transformer architecture with in‐context learning, FMint utilizes both numerical and textual data to learn a universal error correction scheme for dynamical systems, using prompted sequences of coarse solutions from traditional solvers. The model is pre‐trained on a corpus of 400K ordinary differential equations (ODEs), and extensive experiments are performed on challenging ODEs that exhibit chaotic behavior and of high dimensionality. The results demonstrate the effectiveness of the proposed model in terms of both accuracy and efficiency compared to classical numerical solvers, highlighting FMint's potential as a general‐purpose solver for dynamical systems. This approach achieves an accuracy improvement of 1 to 2 orders of magnitude over state‐of‐the‐art dynamical system simulators, and delivers a 5X speedup compared to traditional numerical algorithms. The code for FMint is available athttps://github.com/margotyjx/FMint. 

Many processes in nature such as conformal changes in biomolecules and clusters of interacting particles, genetic switches, mechanical or electromechanical oscillators with added noise, and many others are modeled using stochastic differential equations with small white noise. The study of rare transitions between metastable states in such systems is of great interest and importance. The direct simulation of rare transitions is difficult due to long waiting times. Transition path theory is a mathematical framework for the quantitative description of rare events. Its crucial component is the committor function, the solution to a boundary value problem for the backward Kolmogorov equation. The key fact exploited in this work is that the optimal controller constructed from the committor leads to the generation of transition trajectories exclusively. We prove this fact for a broad class of stochastic differential equations. Moreover, we demonstrate that the committor computed for a dimensionally reduced system and then lifted to the original phase space still allows us to construct an effective controller and estimate the transition rate with reasonable accuracy. Furthermore, we propose an all-the- way-through scheme for computing the committor via neural networks, sampling the transition trajectories, and estimating the transition rate without meshing the space. We apply the proposed methodology to four test problems: the overdamped Langevin dynamics with Mueller’s potential and the rugged Mueller potential in 10D, the noisy bistable Duffing oscillator, and Lennard-Jones-7 in 2D.