Machine learning for elliptic pdes: Fast rate generalization bound, neural scaling law and minimax optimality

Y Lu, H Chen, J Lu, L Ying, J Blanchet - arxiv preprint arxiv:2110.06897, 2021 - arxiv.org
In this paper, we study the statistical limits of deep learning techniques for solving elliptic
partial differential equations (PDEs) from random samples using the Deep Ritz Method …

The fast committor machine: Interpretable prediction with kernels

D Aristoff, M Johnson, G Simpson… - The Journal of chemical …, 2024 - pubs.aip.org
In the study of stochastic systems, the committor function describes the probability that a
system starting from an initial configuration x will reach a set B before a set A. This paper …

Data-driven methods to estimate the committor function in conceptual ocean models

V Jacques-Dumas, RM van Westen… - Nonlinear Processes …, 2023 - npg.copernicus.org
In recent years, several climate subsystems have been identified that may undergo a
relatively rapid transition compared to the changes in their forcing. Such transitions are rare …

[HTML][HTML] Variational deep learning of equilibrium transition path ensembles

AN Singh, DT Limmer - The Journal of Chemical Physics, 2023 - pubs.aip.org
We present a time-dependent variational method to learn the mechanisms of equilibrium
reactive processes and efficiently evaluate their rates within a transition path ensemble. This …

Predicting rare events using neural networks and short-trajectory data

J Strahan, J Finkel, AR Dinner, J Weare - Journal of computational physics, 2023 - Elsevier
Estimating the likelihood, timing, and nature of events is a major goal of modeling stochastic
dynamical systems. When the event is rare in comparison with the timescales of simulation …

Generative modeling via hierarchical tensor sketching

Y Peng, Y Chen, EM Stoudenmire, Y Khoo - arxiv preprint arxiv …, 2023 - arxiv.org
We propose a hierarchical tensor-network approach for approximating high-dimensional
probability density via empirical distribution. This leverages randomized singular value …

Computing the committor with the committor: an anatomy of the transition state ensemble

P Kang, E Trizio, M Parrinello - arxiv preprint arxiv:2401.05279, 2024 - arxiv.org
Determining the kinetic bottlenecks that make transitions between metastable states difficult
is key to understanding important physical problems like crystallization, chemical reactions …

Generative modeling via tensor train sketching

Y Hur, JG Hoskins, M Lindsey, EM Stoudenmire… - Applied and …, 2023 - Elsevier
In this paper, we introduce a sketching algorithm for constructing a tensor train
representation of a probability density from its samples. Our method deviates from the …

Solving high-dimensional Fokker-Planck equation with functional hierarchical tensor

X Tang, L Ying - Journal of Computational Physics, 2024 - Elsevier
This work is concerned with solving high-dimensional Fokker-Planck equations with the
novel perspective that solving the PDE can be reduced to independent instances of density …

Optimal control for sampling the transition path process and estimating rates

J Yuan, A Shah, C Bentz, M Cameron - Communications in Nonlinear …, 2024 - Elsevier
Many processes in nature such as conformal changes in biomolecules and clusters of
interacting particles, genetic switches, mechanical or electromechanical oscillators with …