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The ability to perform ab initio molecular dynamics simulations using potential energies calculated on quantum computers would allow virtually exact dynamics for chemical and biochemical systems, with substantial impacts on the fields of…

The ability to accurately predict and simulate human driving behavior is critical for the development of intelligent transportation systems. Traditional modeling methods have employed simple parametric models and behavioral cloning. This…

Artificial Intelligence · Computer Science 2017-01-25 Alex Kuefler , Jeremy Morton , Tim Wheeler , Mykel Kochenderfer

In dynamic decision-making scenarios across business and healthcare, leveraging sample trajectories from diverse populations can significantly enhance reinforcement learning (RL) performance for specific target populations, especially when…

Machine Learning · Statistics 2025-04-15 Jinhang Chai , Elynn Chen , Jianqing Fan

Numerical simulation of ordinary differential equations (ODEs) can be challenging when the system exhibits high accelerations and rapidly changing dynamics. Under these conditions the ODE solver often needs to take very small time steps in…

Numerical Analysis · Mathematics 2026-05-11 Andrew Tagg , Andrew Frandsen , Andrew Ning

We introduce ImitationFlow, a novel Deep generative model that allows learning complex globally stable, stochastic, nonlinear dynamics. Our approach extends the Normalizing Flows framework to learn stable Stochastic Differential Equations.…

Machine Learning · Computer Science 2020-10-27 Julen Urain , Michelle Ginesi , Davide Tateo , Jan Peters

In this document, a neural network is employed in order to estimate the solution of the initial value problem in the context of non linear trajectories. Such trajectories can be subject to gravity, thrust, drag, centrifugal force,…

Machine Learning · Computer Science 2021-07-21 Theodoros Ntakouris

Kinetic simulations excel at capturing microscale plasma physics phenomena with high accuracy, but their computational demands make them impractical for modeling large-scale space and astrophysical systems. In this context, we build a…

Plasma Physics · Physics 2025-09-05 Simin Shekarpaz , Chuanfei Dong , Ziyu Huang

High-fidelity modeling of turbulent flows is one of the major challenges in computational physics, with diverse applications in engineering, earth sciences and astrophysics, among many others. The rising popularity of high-fidelity…

Fluid Dynamics · Physics 2019-03-06 Arvind Mohan , Don Daniel , Michael Chertkov , Daniel Livescu

We present a novel paradigm for modeling certain types of dynamic simulation in real-time with the aid of neural networks. In order to significantly reduce the requirements on data (especially time-dependent data), as well as decrease…

Machine Learning · Computer Science 2022-01-26 Yongxu Jin , Yushan Han , Zhenglin Geng , Joseph Teran , Ronald Fedkiw

In comparison to classical shallow representation learning techniques, deep neural networks have achieved superior performance in nearly every application benchmark. But despite their clear empirical advantages, it is still not well…

Machine Learning · Computer Science 2022-01-11 Calvin Murdock , George Cazenavette , Simon Lucey

Accurate simulations of molecules require high-level electronic-structure theory in combination with rigorous methods for approximating the quantum dynamics. Machine-learning approaches can significantly reduce the computational expense of…

Chemical Physics · Physics 2026-02-24 Valerii Andreichev , Jindra Dušek , Markus Meuwly , Jeremy O. Richardson

We use neural networks to represent the characteristic function of many-body Gaussian states in the quantum phase space. By a pullback mechanism, we model transformations due to unitary operators as linear layers that can be cascaded to…

Quantum Physics · Physics 2021-10-19 Claudio Conti

We present a differentiable soft-body physics simulator that can be composed with neural networks as a differentiable layer. In contrast to other differentiable physics approaches that use explicit forward models to define state…

Machine Learning · Computer Science 2021-09-13 Junior Rojas , Eftychios Sifakis , Ladislav Kavan

The simulation of large nonlinear dynamical systems, including systems generated by discretization of hyperbolic partial differential equations, can be computationally demanding. Such systems are important in both fluid and kinetic…

Plasma Physics · Physics 2021-06-14 Alexander Engel , Graeme Smith , Scott E. Parker

Modelling the behaviour of highly nonlinear dynamical systems with robust uncertainty quantification is a challenging task which typically requires approaches specifically designed to address the problem at hand. We introduce a…

Machine Learning · Statistics 2024-01-25 Thomas Baldwin-McDonald , Mauricio A. Álvarez

In this work, we consider a parameterized Ising model with long-range symmetric pairwise interactions on a network of spin $\frac{1}{2}$ particles. The system is designed with symmetric dynamics, allowing for the reduction of the state…

In this work, we introduce Dissipative SymODEN, a deep learning architecture which can infer the dynamics of a physical system with dissipation from observed state trajectories. To improve prediction accuracy while reducing network size,…

Machine Learning · Computer Science 2020-05-01 Yaofeng Desmond Zhong , Biswadip Dey , Amit Chakraborty

The decision and planning system for autonomous driving in urban environments is hard to design. Most current methods manually design the driving policy, which can be expensive to develop and maintain at scale. Instead, with imitation…

Robotics · Computer Science 2019-10-15 Jianyu Chen , Bodi Yuan , Masayoshi Tomizuka

We use a data-driven approach to model a three-dimensional turbulent flow using cutting-edge Deep Learning techniques. The deep learning framework incorporates physical constraints on the flow, such as preserving incompressibility and…

Fluid Dynamics · Physics 2021-12-08 Mohammadreza Momenifar , Enmao Diao , Vahid Tarokh , Andrew D. Bragg

This paper presents a novel generative model to synthesize fluid simulations from a set of reduced parameters. A convolutional neural network is trained on a collection of discrete, parameterizable fluid simulation velocity fields. Due to…

Machine Learning · Computer Science 2019-09-05 Byungsoo Kim , Vinicius C. Azevedo , Nils Thuerey , Theodore Kim , Markus Gross , Barbara Solenthaler
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