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Machine Learning tools are nowadays widely applied extensively to the prediction of the properties of molecular materials, using datasets extracted from high-throughput computational models. In several cases of scientific and technological…

Materials Science · Physics 2021-02-10 Fabio Le Piane , Matteo Baldoni , Francesco Mercuri

Determining phase diagrams and phase transitions semi-automatically using machine learning has received a lot of attention recently, with results in good agreement with more conventional approaches in most cases. When it comes to more…

Disordered Systems and Neural Networks · Physics 2019-12-04 Hugo Théveniaut , Fabien Alet

Recently, machine-learning methods have been shown to be successful in identifying and classifying different phases of the square-lattice Ising model. We study the performance and limits of classification and regression models. In…

Disordered Systems and Neural Networks · Physics 2022-04-01 Burak Çivitcioğlu , Rudolf A. Römer , Andreas Honecker

Accurate knowledge of the atomistic transition pathways in materials and material surfaces is crucial for many material science problems. However, conventional simulation techniques used to find these transitions are extremely…

Materials Science · Physics 2026-05-01 Henry Tischler , Wenting Li , Qi Tang , Danny Perez , Thomas Vogel

This paper provides a short overview of how to use machine learning to build data-driven models in fluid mechanics. The process of machine learning is broken down into five stages: (1) formulating a problem to model, (2) collecting and…

Fluid Dynamics · Physics 2021-10-06 Steven L. Brunton

We apply unsupervised learning techniques to classify the different phases of the $J_1-J_2$ antiferromagnetic Ising model on the honeycomb lattice. We construct the phase diagram of the system using convolutional autoencoders. These neural…

Strongly Correlated Electrons · Physics 2021-04-21 S. Acevedo , M. Arlego , C. A. Lamas

Machine Learning is a powerful tool to reveal and exploit correlations in a multi-dimensional parameter space. Making predictions from such correlations is a highly non-trivial task, in particular when the details of the underlying dynamics…

High Energy Physics - Phenomenology · Physics 2019-01-30 Christoph Englert , Peter Galler , Philip Harris , Michael Spannowsky

We identify a new "order parameter" for the disorder driven many-body localization (MBL) transition by leveraging artificial intelligence. This allows us to pin down the transition, as the point at which the physics changes qualitatively,…

Quantum Physics · Physics 2019-11-19 Patrick Huembeli , Alexandre Dauphin , Peter Wittek , Christian Gogolin

Machine learning (ML) is transforming all areas of science. The complex and time-consuming calculations in molecular simulations are particularly suitable for a machine learning revolution and have already been profoundly impacted by the…

Chemical Physics · Physics 2019-11-11 Frank Noé , Alexandre Tkatchenko , Klaus-Robert Müller , Cecilia Clementi

In recent years, machine learning has emerged as a powerful computational tool and novel problem-solving perspective for physics, offering new avenues for studying strongly interacting QCD matter properties under extreme conditions. This…

High Energy Physics - Phenomenology · Physics 2023-12-05 Kai Zhou , Lingxiao Wang , Long-Gang Pang , Shuzhe Shi

Machine learning plays a crucial role in enhancing and accelerating the search for new fundamental physics. We review the state of machine learning methods and applications for new physics searches in the context of terrestrial high energy…

High Energy Physics - Phenomenology · Physics 2021-12-08 Georgia Karagiorgi , Gregor Kasieczka , Scott Kravitz , Benjamin Nachman , David Shih

Single-particle traces of the diffusive motion of molecules, cells, or animals are by-now routinely measured, similar to stochastic records of stock prices or weather data. Deciphering the stochastic mechanism behind the recorded dynamics…

Statistical Mechanics · Physics 2023-09-14 Henrik Seckler , Janusz Szwabinski , Ralf Metzler

Understanding material surfaces and interfaces is vital in applications like catalysis or electronics. By combining energies from electronic structure with statistical mechanics, ab initio simulations can in principle predict the structure…

Crack detection plays a crucial role in civil infrastructures, including inspection of pavements, buildings, etc., and deep learning has significantly advanced this field in recent years. While numerous technical and review papers exist in…

Computer Vision and Pattern Recognition · Computer Science 2025-09-18 Xinan Zhang , Haolin Wang , Yung-An Hsieh , Zhongyu Yang , Anthony Yezzi , Yi-Chang Tsai

The surface properties of solid-state materials often dictate their functionality, especially for applications where nanoscale effects become important. The relevant surface(s) and their properties are determined, in large part, by the…

Materials Science · Physics 2024-03-19 Kyle Noordhoek , Christopher J. Bartel

We describe a technique for reconstruction of the four-dimensional transverse phase space of a beam in an accelerator beamline, taking into account the presence of unknown errors on the strengths of magnets used in the data collection. Use…

Accelerator Physics · Physics 2024-05-17 Andrzej Wolski , Diego Botelho , David Dunning , Amelia E. Pollard

Most machine learning techniques are based upon statistical learning theory, often simplified for the sake of computing speed. This paper is focused on the uncertainty aspect of mathematical modeling in machine learning. Regression analysis…

Machine Learning · Computer Science 2022-06-07 Valentin Arkov

The classification of states of matter and their corresponding phase transitions is a special kind of machine-learning task, where physical data allow for the analysis of new algorithms, which have not been considered in the general…

Strongly Correlated Electrons · Physics 2018-04-30 Ye-Hua Liu , Evert P. L. van Nieuwenburg

Dryland vegetation ecosystems are known to be susceptible to critical transitions between alternative stable states when subjected to external forcing. Such transitions are often discussed through the framework of bifurcation theory, but…

Computational Physics · Physics 2025-05-16 Daniel Dylewsky , Sonia Kéfi , Madhur Anand , Chris T. Bauch

The past decade has seen a remarkable series of advances in machine learning, and in particular deep learning approaches based on artificial neural networks, to improve our abilities to build more accurate systems across a broad range of…

Machine Learning · Computer Science 2019-11-14 Jeffrey Dean