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This work provides a framework for nonlinear model-free control of systems with unknown input-output dynamics, but outputs that can be controlled by the inputs. This framework leads to real-time control of the system such that a feasible…

Systems and Control · Electrical Eng. & Systems 2019-08-13 Amit K. Sanyal

We study compressible fluid flow in narrow two-dimensional channels using a novel molecular dynamics simulation method. In the simulation area, an upstream source is maintained at constant density and temperature while a downstream…

Condensed Matter · Physics 2009-10-22 M. Sun , C. Ebner

A new framework of thermodynamic modeling is proposed by introducing the concept of differentiable programming, where all the thermodynamic observables including both thermochemical quantities and phase equilibria can be differentiated with…

Materials Science · Physics 2021-02-23 Pin-Wen Guan

Machine learning has emerged as an invaluable tool in many research areas. In the present work, we harness this power to predict highly accurate molecular infrared spectra with unprecedented computational efficiency. To account for…

Chemical Physics · Physics 2021-03-16 Michael Gastegger , Jörg Behler , Philipp Marquetand

First principles modeling of physical systems has led to significant technological advances across all branches of science. For nonlinear systems, however, small modeling errors can lead to significant deviations from the true, measured…

Machine Learning · Computer Science 2019-09-19 Kadierdan Kaheman , Eurika Kaiser , Benjamin Strom , J. Nathan Kutz , Steven L. Brunton

Recently developed reduced-order modeling techniques aim to approximate nonlinear dynamical systems on low-dimensional manifolds learned from data. This is an effective approach for modeling dynamics in a post-transient regime where the…

Dynamical Systems · Mathematics 2023-09-27 Samuel E. Otto , Gregory R. Macchio , Clarence W. Rowley

To perform high speed tasks, sensors of autonomous cars have to provide as much information in as few time steps as possible. However, radars, one of the sensor modalities autonomous cars heavily rely on, often only provide sparse, noisy…

Computer Vision and Pattern Recognition · Computer Science 2019-04-02 Daniel Bauer , Lars Kuhnert , Lutz Eckstein

We consider inverse problems estimating distributed parameters from indirect noisy observations through discretization of continuum models described by partial differential or integral equations. It is well understood that the errors…

Numerical Analysis · Mathematics 2023-10-09 Albero Bocchinfuso , Daniela Calvetti , Erkki Somersalo

We present a data-driven modeling strategy to overcome improperly modeled dynamics for systems exhibiting complex spatio-temporal behaviors. We propose a Deep Learning framework to resolve the differences between the true dynamics of the…

Machine Learning · Computer Science 2020-10-28 Maan Qraitem , Dhanushka Kularatne , Eric Forgoston , M. Ani Hsieh

In many tasks, in particular in natural science, the goal is to determine hidden system parameters from a set of measurements. Often, the forward process from parameter- to measurement-space is a well-defined function, whereas the inverse…

A long-standing problem at the interface of artificial intelligence and applied mathematics is to devise an algorithm capable of achieving human level or even superhuman proficiency in transforming observed data into predictive mathematical…

Machine Learning · Statistics 2018-01-23 Maziar Raissi

Developing control policies in simulation is often more practical and safer than directly running experiments in the real world. This applies to policies obtained from planning and optimization, and even more so to policies obtained from…

In dilute turbulent particle-laden flows, such as atmospheric dispersion of pollutants or virus particles, the dynamics of tracer-like to low inertial particles are significantly altered by the fluctuating motion of the carrier fluid phase.…

Fluid Dynamics · Physics 2024-06-19 Josh Williams , Uwe Wolfram , Ali Ozel

When neural networks are trained from data to simulate the dynamics of physical systems, they encounter a persistent challenge: the long-time dynamics they produce are often unphysical or unstable. We analyze the origin of such…

Machine Learning · Computer Science 2024-06-21 Daniel Floryan

We demonstrate a machine learning based approach which can learn the time-dependent electronic excitation dynamics of small molecules subjected to ion irradiation. Ensembles of recurrent neural networks are trained on data generated by…

Chemical Physics · Physics 2024-09-24 Ethan P. Shapera , Cheng-Wei Lee

Physics-informed neural networks have emerged as a powerful tool in the scientific machine learning community, with applications to both forward and inverse problems. While they have shown considerable empirical success, significant…

Optimization and Control · Mathematics 2025-12-11 Federica Caforio , Martin Holler , Matthias Höfler

Mechanistic simulation models are inverted against observations in order to gain inference on modeled processes. However, with the increasing ability to collect high resolution observations, these observations represent more patterns of…

Computation · Statistics 2018-12-20 Thomas Wutzler

Spatiotemporal dynamics models are fundamental for various domains, from heat propagation in materials to oceanic and atmospheric flows. However, currently available neural network-based spatiotemporal modeling approaches fall short when…

Machine Learning · Computer Science 2025-02-11 Valerii Iakovlev , Harri Lähdesmäki

As a competitive recovery method for heavy oil, In-Situ Combustion (ISC) shows its great potential accompanied by technological advances in recent years. Reservoir simulation will play an indispensable role in the prediction of the…

Computational Engineering, Finance, and Science · Computer Science 2018-11-30 Ruijian He , Bo Yang , Hui Liu , Zhangxin Chen

We examine the optical properties of a system of nano and micro particles of varying size, shape, and material (including metals and dielectrics, and sub-wavelength and super-wavelength regimes). Training data is generated by numerically…