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Related papers: Deep Learning Phase Segregation

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Spontaneous liquid-liquid phase separation is commonly understood in terms of phenomenological mean-field theories. These theories correctly predict the structural features of the fluid at sufficiently long time scales and wavelengths.…

Soft Condensed Matter · Physics 2019-07-11 Charley Schaefer , Stefan Paquay , Tom C. B. McLeish

We have generated an open-source dataset of over 30000 organic chemistry gas phase partition functions. With this data, a machine learning deep neural network estimator was trained to predict partition functions of unknown organic chemistry…

Chemical Physics · Physics 2022-03-08 Evan Komp , Stéphanie Valleau

Deep learning involves navigating a high-dimensional loss landscape over the neural network parameter space. Over the course of training, complex computational structures form and re-form inside the neural network, leading to shifts in…

Machine Learning · Computer Science 2025-08-04 Jesse Hoogland , George Wang , Matthew Farrugia-Roberts , Liam Carroll , Susan Wei , Daniel Murfet

While a lot of progress has been made in recent years, the dynamics of learning in deep nonlinear neural networks remain to this day largely misunderstood. In this work, we study the case of binary classification and prove various…

Machine Learning · Computer Science 2020-12-15 Remi Tachet , Mohammad Pezeshki , Samira Shabanian , Aaron Courville , Yoshua Bengio

We present a machine-learning method for predicting sharp transitions in a Hamiltonian phase diagram by extrapolating the properties of quantum systems. The method is based on Gaussian Process regression with a combination of kernels chosen…

Other Condensed Matter · Physics 2019-04-26 Rodrigo A. Vargas-Hernández , John Sous , Mona Berciu , Roman V. Krems

The customizable nature of deep learning models have allowed them to be successful predictors in various disciplines. These models are often trained with respect to thousands or millions of instances for complicated problems, but the…

Machine Learning · Computer Science 2019-12-24 Drimik Roy Chowdhury , Muhammad Firmansyah Kasim

We incorporate deep learning (DL) into coherent beam combining (CBC) systems for the first time, to the best of our knowledge. Using a well-trained convolutional neural network DL model, the phase error in CBC systems could be accurately…

We develop a deep neural network (DNN) that accounts for the phase behaviors of polymer-containing liquid mixtures. The key component in the DNN consists of a theory-embedded layer that captures the characteristic features of the phase…

Soft Condensed Matter · Physics 2020-02-03 Issei Nakamura

To improve the physical understanding and the predictions of complex dynamic systems, such as ocean dynamics and weather predictions, it is of paramount interest to identify interpretable models from coarsely and off-grid sampled…

Computational Physics · Physics 2021-05-04 Gert-Jan Both , Georges Tod , Remy Kusters

Phase is a fundamental resource for optical imaging but cannot be directly observed with intensity measurements. The existing methods to quantify a phase distribution rely on complex devices and structures. Here we experimentally…

Optics · Physics 2020-03-25 Tengfeng Zhu , Junyi Huang , Zhichao Ruan

Flow field segmentation and classification help researchers to understand vortex structure and thus turbulent flow. Existing deep learning methods mainly based on global information and focused on 2D circumstance. Based on flow field…

Computer Vision and Pattern Recognition · Computer Science 2023-06-16 Xiaorui Bai , Wenyong Wang , Jun Zhang , Yueqing Wang , Yu Xiang

Advances in deep learning have greatly improved structure prediction of molecules. However, many macroscopic observations that are important for real-world applications are not functions of a single molecular structure, but rather…

Deep learning techniques are increasingly applied to scientific problems, where the precision of networks is crucial. Despite being deemed as universal function approximators, neural networks, in practice, struggle to reduce the prediction…

Machine Learning · Computer Science 2023-07-19 Yongji Wang , Ching-Yao Lai

Deep neural networks are susceptible to learn biased models with entangled feature representations, which may lead to subpar performances on various downstream tasks. This is particularly true for under-represented classes, where a lack of…

Computer Vision and Pattern Recognition · Computer Science 2021-11-02 Sanghyeok Chu , Dongwan Kim , Bohyung Han

The accurate prediction of phase diagrams is of central importance for both the fundamental understanding of materials as well as for technological applications in material sciences. However, the computational prediction of the relative…

Statistical Mechanics · Physics 2024-11-26 Maximilian Schebek , Michele Invernizzi , Frank Noé , Jutta Rogal

We present efficient deep learning techniques for approximating flow and transport equations for both single phase and two-phase flow problems. The proposed methods take advantages of the sparsity structures in the underlying discrete…

Numerical Analysis · Mathematics 2020-01-08 Yating Wang , Guang Lin

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

Flowing granular materials segregate due to differences in particle size (driven by percolation) and density (driven by buoyancy). Modelling the segregation of mixtures of large/heavy particles and small/light particles is challenging due…

Soft Condensed Matter · Physics 2021-05-18 Yifei Duan , Paul B. Umbanhowar , Julio M. Ottino , Richard M. Lueptow

Characterizing the phase space distribution of particle beams in accelerators is a central part of accelerator understanding and performance optimization. However, conventional reconstruction-based techniques either use simplifying…

In this paper, we present a statistical-mechanical analysis of deep learning. We elucidate some of the essential components of deep learning---pre-training by unsupervised learning and fine tuning by supervised learning. We formulate the…

Machine Learning · Statistics 2015-06-23 Masayuki Ohzeki