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We propose a method for learning dynamical systems from high-dimensional empirical data that combines variational autoencoders and (spatio-)temporal attention within a framework designed to enforce certain scientifically-motivated…

Machine Learning · Computer Science 2023-06-22 Kai Lagemann , Christian Lagemann , Sach Mukherjee

With massive advancements in sensor technologies and Internet-of-things, we now have access to terabytes of historical data; however, there is a lack of clarity in how to best exploit the data to predict future events. One possible…

Computational Physics · Physics 2022-05-05 Tapas Tripura , Souvik Chakraborty

Scientific machine learning has been successfully applied to inverse problems and PDE discovery in computational physics. One caveat concerning current methods is the need for large amounts of ("clean") data, in order to characterize the…

Numerical Analysis · Mathematics 2021-11-30 Christophe Bonneville , Christopher J. Earls

Harnessing data to discover the underlying governing laws or equations that describe the behavior of complex physical systems can significantly advance our modeling, simulation and understanding of such systems in various science and…

Machine Learning · Computer Science 2021-11-17 Zhao Chen , Yang Liu , Hao Sun

Time-dependent Partial Differential Equations with given initial conditions are considered in this paper. New differentiation techniques of the unknown solution with respect to time variable are proposed. It is shown that the proposed…

Numerical Analysis · Mathematics 2022-10-24 Marat S. Mukhametzhanov

Neural operators have achieved strong performance in learning solution operators of partial differential equations (PDEs), but their inherently continuous representations struggle to capture discontinuities and sharp transitions. Existing…

Machine Learning · Computer Science 2026-05-20 Ha Dang , Sebastian Schmidt , Juergen Hesser

Operator learning has become a powerful tool in machine learning for modeling complex physical systems governed by partial differential equations (PDEs). Although Deep Operator Networks (DeepONet) show promise, they require extensive data…

Machine Learning · Computer Science 2024-12-09 Xinling Yu , Sean Hooten , Ziyue Liu , Yequan Zhao , Marco Fiorentino , Thomas Van Vaerenbergh , Zheng Zhang

In this article we study the possibilities of recovering the structure of port-Hamiltonian systems starting from ``unlabelled'' ordinary differential equations describing mechanical systems. The algorithm we suggest solves the problem in…

Computational Engineering, Finance, and Science · Computer Science 2023-04-26 Vladimir Salnikov , Antoine Falaize , Daria Loziienko

In this paper, we evaluate the effectiveness of deep operator networks (DeepONets) in solving both forward and inverse problems of partial differential equations (PDEs) on unknown manifolds. By unknown manifolds, we identify the manifold by…

Numerical Analysis · Mathematics 2024-07-09 Anran Jiao , Qile Yan , Jhn Harlim , Lu Lu

Random ordinary differential equations (RODEs), i.e. ODEs with random parameters, are often used to model complex dynamics. Most existing methods to identify unknown governing RODEs from observed data often rely on strong prior knowledge.…

Numerical Analysis · Mathematics 2020-06-04 Junyu Liu , Zichao Long , Ranran Wang , Jie Sun , Bin Dong

Classical density functional theory (cDFT) provides a systematic approach to predict the structure and thermodynamic properties of chemical systems through the single-molecule density profiles. Whereas the statistical-mechanical framework…

Chemical Physics · Physics 2024-11-07 Jinni Yang , Runtong Pan , Jikai Sun , Jianzhong Wu

We propose a finite-dimensional control-based method to approximate solution operators for evolutional partial differential equations (PDEs), particularly in high-dimensions. By employing a general reduced-order model, such as a deep neural…

Numerical Analysis · Mathematics 2024-01-22 Nathan Gaby , Xiaojing Ye

We present a novel approach for training deep neural networks in a Bayesian way. Classical, i.e. non-Bayesian, deep learning has two major drawbacks both originating from the fact that network parameters are considered to be deterministic.…

Machine Learning · Statistics 2019-03-11 Konstantin Posch , Jan Steinbrener , Jürgen Pilz

Hybrid machine learning based on Hamiltonian formulations has recently been successfully demonstrated for simple mechanical systems, both energy conserving and not energy conserving. We introduce a pseudo-Hamiltonian formulation that is a…

Machine Learning · Computer Science 2023-02-15 Sølve Eidnes , Alexander J. Stasik , Camilla Sterud , Eivind Bøhn , Signe Riemer-Sørensen

Accurate models of robot dynamics are critical for safe and stable control and generalization to novel operational conditions. Hand-designed models, however, may be insufficiently accurate, even after careful parameter tuning. This…

Robotics · Computer Science 2021-11-29 Thai Duong , Nikolay Atanasov

Quantum systems governed by time-dependent Hamiltonians pose significant challenges for the accurate computation of unitary time-evolution operators, which are essential for predicting quantum state dynamics. In this work, we introduce a…

Quantum Physics · Physics 2026-01-21 Antonio Guerra , Daniel Uzcategui-Contreras , Aldo Delgado , Esteban S. Gómez

We present a method for learning generalized Hamiltonian decompositions of ordinary differential equations given a set of noisy time series measurements. Our method simultaneously learns a continuous time model and a scalar energy function…

Machine Learning · Computer Science 2021-04-16 Kevin L. Course , Trefor W. Evans , Prasanth B. Nair

The interpretation of deep learning as a dynamical system has gained a considerable attention in recent years as it provides a promising framework. It allows for the use of existing ideas from established fields of mathematics for studying…

Optimization and Control · Mathematics 2021-06-09 Nader Ganaba

Numerical solution of partial differential equations (PDEs) plays a vital role in various fields of science and engineering. In recent years, deep neural networks (DNNs) have emerged as a powerful tool for solving PDEs, leveraging their…

Numerical Analysis · Mathematics 2026-02-16 Shuo Ling , Wenjun Ying , Zhen Zhang

Purpose: To develop a neural ordinary differential equation (ODE) model for visualizing deep neural network (DNN) behavior during multi-parametric MRI (mp-MRI) based glioma segmentation as a method to enhance deep learning explainability.…

Quantitative Methods · Quantitative Biology 2022-03-25 Zhenyu Yang , Zongsheng Hu , Hangjie Ji , Kyle Lafata , Scott Floyd , Fang-Fang Yin , Chunhao Wang