English
Related papers

Related papers: Dynamics of supercooled liquids from static averag…

200 papers

Skeletal muscle-based biohybrid actuators have proved to be a promising component in soft robotics, offering efficient movement. However, their intrinsic biological variability and nonlinearity pose significant challenges for…

We present an algorithm to learn the relevant latent variables of a large-scale discretized physical system and predict its time evolution using thermodynamically-consistent deep neural networks. Our method relies on sparse autoencoders,…

Computational Engineering, Finance, and Science · Computer Science 2021-03-25 Quercus Hernandez , Alberto Badias , David Gonzalez , Francisco Chinesta , Elias Cueto

Molecular dynamics (MD) simulations are increasingly being combined with machine learning (ML) to predict material properties. The molecular configurations obtained from MD are represented by multiple features, such as thermodynamic…

In building management, usually static thermal setpoints are used to maintain the inside temperature of a building at a comfortable level irrespective of its occupancy. This strategy can cause a massive amount of energy wastage and…

Machine Learning · Computer Science 2022-01-20 Rakshitha Godahewa , Chang Deng , Arnaud Prouzeau , Christoph Bergmeir

We present a \emph{novel} and scalable supervised machine learning framework to predict open-quantum system dynamics and detect non-Markovian memory using only local ancilla measurements. A system qubit is coherently coupled to an ancilla…

Quantum Physics · Physics 2025-09-30 Ali Abu-Nada , Subhashish Banerjee

Machine learning (ML) has been well applied to studying equilibrium phase transition models, by accurately predicating critical thresholds and some critical exponents. Difficulty will be raised, however, for integrating ML into…

Statistical Mechanics · Physics 2024-02-27 Jianmin Shen , Wei Li , Shengfeng Deng , Tao Zhang

Accurate prediction of phase equilibria remains a central challenge in chemical engineering. Physics-consistent machine learning methods that incorporate thermodynamic structure into neural networks have recently shown strong performance…

Machine Learning · Computer Science 2026-03-17 Karim K. Ben Hicham , Moreno Ascani , Jan G. Rittig , Alexander Mitsos

The dynamic and static properties of a supercooled (non-entangled) polymer melt are investigated via molecular dynamics (MD) simulations. The system is confined between two completely smooth and purely repulsive walls. The wall-to-wall…

Soft Condensed Matter · Physics 2007-05-23 Fathollah Varnik , Joerg Baschnagel , Kurt Binder

In this article, a novel neuro-inspired low-resolution online unsupervised learning rule is proposed to train the reservoir or liquid of Liquid State Machine. The liquid is a sparsely interconnected huge recurrent network of spiking…

Neural and Evolutionary Computing · Computer Science 2016-04-20 Subhrajit Roy , Arindam Basu

We explore the relationship between a machine-learned structural quantity (softness) and excess entropy in simulations of supercooled liquids. Excess entropy is known to scale well the dynamical properties of liquids, but this…

Soft Condensed Matter · Physics 2023-06-07 Ian R. Graham , Paulo E. Arratia , Robert A. Riggleman

Fluids under nanoscale confinement differ -- and often dramatically -- from their bulk counterparts. A notorious feature of nanoconfined fluids is their inhomogeneous density profile along the confining dimension, which plays a key role in…

Soft Condensed Matter · Physics 2025-08-26 Yuanhao Li

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

In recent years, nonlinear dynamic system identification using artificial neural networks has garnered attention due to its broad potential applications across science and engineering. However, purely data-driven approaches often struggle…

Machine Learning · Computer Science 2025-11-06 Fabian J. Roth , Dominik K. Klein , Maximilian Kannapinn , Jan Peters , Oliver Weeger

In the past few years, deep generative models, such as generative adversarial networks \autocite{GAN}, variational autoencoders \autocite{vaepaper}, and their variants, have seen wide adoption for the task of modelling complex data…

Machine Learning · Statistics 2020-09-02 Guilherme G. P. Freitas Pires , Mário A. T. Figueiredo

Machine learning (ML) methods are becoming integral to scientific inquiry in numerous disciplines, such as material sciences. In this manuscript, we demonstrate how ML can be used to predict several properties in solid-state chemistry, in…

Materials Science · Physics 2020-11-24 Jean-Claude Crivello , Nataliya Sokolovska , Jean-Marc Joubert

We analyze how accurately supervised machine learning techniques can predict the lowest energy levels of one-dimensional noninteracting ultracold atoms subject to the correlated disorder due to an optical speckle field. Deep neural networks…

Quantum Gases · Physics 2019-04-10 S. Pilati , P. Pieri

The rapid compaction of granular media results in localized heating that can induce chemical reactions, phase transformations, and melting. However, there are numerous mechanisms in play that can be dependent on a variety of microstructural…

Soft Condensed Matter · Physics 2023-05-16 Brenden W Hamilton , Timothy C. Germann

Quantum materials research requires co-design of theory with experiments and involves demanding simulations and the analysis of vast quantities of data, usually including pattern recognition and clustering. Artificial intelligence is a…

Other Condensed Matter · Physics 2021-11-01 A. M. Samarakoon , D. Alan Tennant , Feng Ye , Qiang Zhang , S. A. Grigera

We propose a physics-aware machine learning method to time-accurately predict extreme events in a turbulent flow. The method combines two radically different approaches: empirical modelling based on reservoir computing, which learns the…

Fluid Dynamics · Physics 2019-12-24 Nguyen Anh Khoa Doan , Wolfgang Polifke , Luca Magri

Machine learning approaches have recently been leveraged as a substitute or an aid for physical/mathematical modeling approaches to dynamical systems. To develop an efficient machine learning method dedicated to modeling and prediction of…

Machine Learning · Computer Science 2022-08-01 Gouhei Tanaka , Tadayoshi Matsumori , Hiroaki Yoshida , Kazuyuki Aihara
‹ Prev 1 3 4 5 6 7 10 Next ›