Operator learning for solving Fokker-Planck equations with various initial conditions

Solving high-dimensional Fokker-Planck (FP) equations remains a challenging problem in computational physics and stochastic dynamics, due to the curse of dimensionality, unbounded domains, and complex probability landscapes. In this work, we propose an adaptive probability flow residual minimization (A-PFRM) method for this problem. The second-order FP equation is reformulated as an equivalent first-order continuity equation associated with the probability flow ordinary differential equation, based on which a loss function is constructed to train neural network approximations without Hessian computation. To further improve the computational efficiency, the Hutchinson trace estimator is applied to compute the divergence in the corresponding score function, such that the training time can be dimension-independent on GPUs. Adaptive sampling strategies are employed to generate the collocation points, and our analysis shows that the Kullback-Leibler divergence between our A-PFRM approximation and the exact solution is bounded by the residual loss weighted by the estimated density function. Numerical experiments are presented to demonstrate the performance of A-PFRM, which include Ornstein-Uhlenbeck (OU) processes problems, Brownian motions with time-varying diffusion, and Geometric OU processes featuring non-Gaussian solutions up to one hundred dimensions.

We propose a new Neural Galerkin Normalizing Flow framework to approximate the transition probability density function of a diffusion process by solving the corresponding Fokker-Planck equation with an atomic initial distribution, parametrically with respect to the location of the initial mass. By using Normalizing Flows, we look for the solution as a transformation of the transition probability density function of a reference stochastic process, ensuring that our approximation is structure-preserving and automatically satisfies positivity and mass conservation constraints. By extending Neural Galerkin schemes to the context of Normalizing Flows, we derive a system of ODEs for the time evolution of the Normalizing Flow's parameters. Adaptive sampling routines are used to evaluate the Fokker-Planck residual in meaningful locations, which is of vital importance to address high-dimensional PDEs. Numerical results show that this strategy captures key features of the true solution and enforces the causal relationship between the initial datum and the density function at subsequent times. After completing an offline training phase, online evaluation becomes significantly more cost-effective than solving the PDE from scratch. The proposed method serves as a promising surrogate model, which could be deployed in many-query problems associated with stochastic differential equations, like Bayesian inference, simulation, and diffusion bridge generation.

Physics-Informed Neural Networks (PINNs) often train slowly or fail to converge on challenging partial differential equations (PDEs), a behavior recently linked to severely ill-conditioned loss landscapes inherited from the underlying differential operator. We study PINNs augmented with a pointwise data-fidelity term, added at a few points in the domain to the standard residual and boundary losses. We show that this supervision term acts as an operator-level preconditioner: for suitable weights, our comparison bounds guarantee a substantially smaller condition number than under the standard PINN loss, independently of how the pointwise labels are obtained. For a broad class of PDEs admitting a Feynman-Kac (FK) representation, we generate such labels by Monte Carlo averages of the FK functional, resulting in what we call ``FK-PINNs", and using the excess risk decomposition approach, we derive non-asymptotic $L^2(Ω)$-error bounds for FK-PINNs with $\tanh$ activation trained by finitely many steps of gradient descent. Along the way, we establish pseudo-dimension bounds for first- and second-order derivatives of $\tanh$ neural networks, which are of independent interest and, to the best of our knowledge, new. Numerical experiments on Poisson, Schrödinger, mean exit time, and committor problems corroborate the theory, and show that FK-PINNs can successfully solve PDEs for which standard PINNs exhibit severe failure modes.