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Molecular dynamics (MD) simulations are a central tool in science and engineering enabling the study of dynamical behavior and the link between microscopic structure and macroscopic function. Their high computational cost, however, has…

Chemical Physics · Physics 2026-01-22 Salman N. Salman , Sergey A. Shteingolts , Ron Levie , Dan Mendels

Accurate simulation of fluid flow in porous media is challenging due to complex pore-space geometries and the computational cost of solving the Navier-Stokes equations. This difficulty is particularly important when repeated simulations are…

Machine Learning · Computer Science 2026-05-21 Rafał Topolnicki , Paweł Dłotko , Maciej Matyka

In applied sciences, we often deal with deterministic simulation models that are too slow for simulation-intensive tasks such as calibration or real-time control. In this paper, an emulator for a generic dynamic model, given by a system of…

Methodology · Statistics 2012-07-06 Carlo Albert

Transformers and linear state space models can be evaluated in parallel on modern hardware, but evaluating nonlinear RNNs appears to be an inherently sequential problem. Recently, however, Lim et al. '24 developed an approach called DEER,…

Machine Learning · Computer Science 2025-01-17 Xavier Gonzalez , Andrew Warrington , Jimmy T. H. Smith , Scott W. Linderman

Many techniques have been developed, such as model compression, to make Deep Neural Networks (DNNs) inference more efficiently. Nevertheless, DNNs still lack excellent run-time dynamic inference capability to enable users trade-off accuracy…

Computer Vision and Pattern Recognition · Computer Science 2020-09-15 Li Yang , Zhezhi He , Yu Cao , Deliang Fan

This work presents a novel methodology for analysis and control of nonlinear fluid systems using neural networks. The approach is demonstrated on four different study cases being the Lorenz system, a modified version of the…

Fluid Dynamics · Physics 2023-08-28 Tarcísio Déda , William Wolf , Scott Dawson

Recently, designing neural solvers for large-scale linear systems of equations has emerged as a promising approach in scientific and engineering computing. This paper first introduce the Richardson(m) neural solver by employing a meta…

Numerical Analysis · Mathematics 2024-12-12 Zhen Wang , Yun Liu , Chen Cui , Shi Shu

This paper aims to accelerate the test-time computation of deep convolutional neural networks (CNNs). Unlike existing methods that are designed for approximating linear filters or linear responses, our method takes the nonlinear units into…

Computer Vision and Pattern Recognition · Computer Science 2014-11-18 Xiangyu Zhang , Jianhua Zou , Xiang Ming , Kaiming He , Jian Sun

The present paper deals with the problem of improving the efficiency of large scale turbulent flow simulations. The high-fidelity methods for modelling turbulent flows become available for a wider range of applications thanks to the…

Computational Physics · Physics 2018-04-10 Boris Krasnopolsky

We present a framework for the simulation of rigid and deformable bodies in the presence of contact and friction. Our method is based on a non-smooth Newton iteration that solves the underlying nonlinear complementarity problems (NCPs)…

Time domain simulation, i.e., modeling the system's evolution over time, is a crucial tool for studying and enhancing power system stability and dynamic performance. However, these simulations become computationally intractable for…

Machine Learning · Computer Science 2025-10-14 Matthew Schlegel , Matthew E. Taylor , Mostafa Farrokhabadi

Learning the underlying equation from data is a fundamental problem in many disciplines. Recent advances rely on Neural Networks (NNs) but do not provide theoretical guarantees in obtaining the exact equations owing to the non-convexity of…

Machine Learning · Computer Science 2022-10-13 Haoran Li , Yang Weng , Hanghang Tong

Partial differential equations (PDEs) are widely used across the physical and computational sciences. Decades of research and engineering went into designing fast iterative solution methods. Existing solvers are general purpose, but may be…

Numerical Analysis · Mathematics 2024-09-23 Jun-Ting Hsieh , Shengjia Zhao , Stephan Eismann , Lucia Mirabella , Stefano Ermon

Stability of recurrent models is closely linked with trainability, generalizability and in some applications, safety. Methods that train stable recurrent neural networks, however, do so at a significant cost to expressibility. We propose an…

Machine Learning · Computer Science 2019-12-24 Max Revay , Ian R. Manchester

Newton's Method is widely used to find the solution of complex non-linear simulation problems in Computer Graphics. To guarantee a descent direction, it is common practice to clamp the negative eigenvalues of each element Hessian prior to…

Graphics · Computer Science 2026-05-26 José Antonio Fernández-Fernández , Fabian Löschner , Jan Bender

Graph neural network simulators (GNS) have emerged as a computationally efficient tool for simulating granular flows. Previous efforts have been limited to simplified homogeneous geometries characterized only by the friction angle, which…

Geophysics · Physics 2026-05-11 Yongjin Choi , Jorge Macedo , Chenying Liu

The high computational cost of kinetic solvers such as DSMC remains a major challenge in rarefied flow simulations. This work presents a unified framework combining deep neural networks and neural operators to accelerate kinetic and hybrid…

Fluid Dynamics · Physics 2025-12-18 Ehsan Roohi

Cosmological field-level inference requires differentiable forward models that solve the challenging dynamics of gas and dark matter under hydrodynamics and gravity. We propose a hybrid approach where gravitational forces are computed using…

Cosmology and Nongalactic Astrophysics · Physics 2025-10-31 Arne Thomsen , Tilman Tröster , François Lanusse

Many computer graphics problems require computing geometric shapes subject to certain constraints. This often results in non-linear and non-convex optimization problems with globally coupled variables, which pose great challenge for…

Graphics · Computer Science 2018-05-16 Yue Peng , Bailin Deng , Juyong Zhang , Fanyu Geng , Wenjie Qin , Ligang Liu

Neural implicit shape representations are an emerging paradigm that offers many potential benefits over conventional discrete representations, including memory efficiency at a high spatial resolution. Generalizing across shapes with such…

Computer Vision and Pattern Recognition · Computer Science 2020-06-18 Vincent Sitzmann , Eric R. Chan , Richard Tucker , Noah Snavely , Gordon Wetzstein