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Recently, the use of neural networks to accelerate the solving of partial differential equations (PDEs) has gained significant traction in both academia and industry. However, employing neural networks as standalone surrogate models raises…

Neural architecture search has been shown to hold great promise towards the automation of deep learning. However in spite of its potential, neural architecture search remains quite costly. To this point, we propose a novel gradient-based…

Machine Learning · Computer Science 2019-02-18 Efi Kokiopoulou , Anja Hauth , Luciano Sbaiz , Andrea Gesmundo , Gabor Bartok , Jesse Berent

This document is a hands-on, comprehensive guide to deep learning in the realm of physical simulations. Rather than just theory, we emphasize practical application: every concept is paired with interactive Jupyter notebooks to get you up…

Machine Learning · Computer Science 2025-03-28 N. Thuerey , B. Holzschuh , P. Holl , G. Kohl , M. Lino , Q. Liu , P. Schnell , F. Trost

Granular materials are of critical interest to many robotic tasks in planetary science, construction, and manufacturing. However, the dynamics of granular materials are complex and often computationally very expensive to simulate. We…

Robotics · Computer Science 2023-06-05 David Millard , Daniel Pastor , Joseph Bowkett , Paul Backes , Gaurav S. Sukhatme

Real-time simulation of elastic structures is essential in many applications, from computer-guided surgical interventions to interactive design in mechanical engineering. The Finite Element Method is often used as the numerical method of…

Machine Learning · Computer Science 2021-09-21 Alban Odot , Ryadh Haferssas , Stéphane Cotin

The use of machine learning algorithms is an attractive way to produce very fast detector simulations for scattering reactions that can otherwise be computationally expensive. Here we develop a factorised approach where we deal with each…

Data Analysis, Statistics and Probability · Physics 2022-07-26 D. Darulis , R. Tyson , D. G. Ireland , D. I. Glazier , B. McKinnon , P. Pauli

This paper presents a novel approach for accelerating n-body simulations by integrating a physics-informed graph neural networks (GNN) with traditional numerical methods. Our method implements a leapfrog-based simulation engine to generate…

Machine Learning · Computer Science 2025-04-03 Víctor Ramos-Osuna , Alberto Díaz-Álvarez , Raúl Lara-Cabrera

A common factor across electromagnetic methodologies of brain stimulation is the optimization of essential dosimetry parameters, like amplitude, phase, and location of one or more transducers, which controls the stimulation strength and…

Image and Video Processing · Electrical Eng. & Systems 2025-05-06 Fatima Ahsan , Lorenzo Luzi , Richard G. Barainuk , Sameer A. Sheth , Wayne Goodman , Behnaam Aazhang

Molecular dynamics simulations are an important tool for describing the evolution of a chemical system with time. However, these simulations are inherently held back either by the prohibitive cost of accurate electronic structure theory…

Chemical Physics · Physics 2018-12-20 Michael Gastegger , Philipp Marquetand

The design of inertial fusion experiments is a complex task as driver energy must be delivered in a precise manner to a structured target to achieve a fast, but hydrodynamically stable, implosion. Radiation-hydrodynamics simulation codes…

Plasma Physics · Physics 2025-08-29 A. J. Crilly , P. W. Moloney , D. Shi , E. A. Ferdinandi

How many simulations do we need to train machine learning methods to extract information available from summary statistics of the cosmological density field? Neural methods have shown the potential to extract non-linear information…

Cosmology and Nongalactic Astrophysics · Physics 2025-11-26 Anirban Bairagi , Benjamin Wandelt , Francisco Villaescusa-Navarro

Future advancement of engineering applications is dependent on design of novel materials with desired properties. Enormous size of known chemical space necessitates use of automated high throughput screening to search the desired material.…

Machine Learning · Statistics 2019-04-10 Saket Mishra , Piyush Tagade

Recent progress in deep learning has been driven by increasingly larger models. However, their computational and energy demands have grown proportionally, creating significant barriers to their deployment and to a wider adoption of deep…

Machine Learning · Computer Science 2025-09-16 Pedro Savarese

Monte Carlo simulations of physics processes at particle colliders like the Large Hadron Collider at CERN take up a major fraction of the computational budget. For some simulations, a single data point takes seconds, minutes, or even hours…

Computational Physics · Physics 2023-02-03 Fady Bishara , Ayan Paul , Jennifer Dy

Super-resolution (SR) models in cosmological simulations use deep learning (DL) to rapidly enhance low-resolution (LR) runs with statistically correct fine details. These models preserves large-scale structures by conditioning on an LR…

Cosmology and Nongalactic Astrophysics · Physics 2025-02-13 Xiaowen Zhang , Patrick Lachance , Ankita Dasgupta , Rupert A. C. Croft , Tiziana Di Matteo , Yueying Ni , Simeon Bird , Yin Li

Life and physical sciences have always been quick to adopt the latest advances in machine learning to accelerate scientific discovery. Examples of this are cell segmentation or cancer detection. Nevertheless, these exceptional results are…

Machine Learning · Computer Science 2022-04-26 Juan Manuel Parrilla-Gutierrez

The influence of deep learning is continuously expanding across different domains, and its new applications are ubiquitous. The question of neural network design thus increases in importance, as traditional empirical approaches are reaching…

Neural and Evolutionary Computing · Computer Science 2021-01-29 Anton Muravev , Jenni Raitoharju , Moncef Gabbouj

The success of high energy physics programs relies heavily on accurate detector simulations and beam interaction modeling. The increasingly complex detector geometries and beam dynamics require sophisticated techniques in order to meet the…

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

In recent years, deep neural networks have had great success in machine learning and pattern recognition. Architecture size for a neural network contributes significantly to the success of any neural network. In this study, we optimize the…

Machine Learning · Computer Science 2021-01-19 Yigit Alparslan , Ethan Jacob Moyer , Isamu Mclean Isozaki , Daniel Schwartz , Adam Dunlop , Shesh Dave , Edward Kim
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