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In recent years, a distributed Douglas-Rachford splitting method (DDRSM) has been proposed to tackle multi-block separable convex optimization problems. This algorithm offers relatively easier subproblems and greater efficiency for…

Optimization and Control · Mathematics 2024-11-19 Leyu Hu , Jiaxin Xie , Xingju Cai , Deren Han

In this work, we demonstrate how physical principles -- such as symmetries, invariances, and conservation laws -- can be integrated into the dynamic mode decomposition (DMD). DMD is a widely-used data analysis technique that extracts…

Dynamical Systems · Mathematics 2021-12-09 Peter J. Baddoo , Benjamin Herrmann , Beverley J. McKeon , J. Nathan Kutz , Steven L. Brunton

To accurately study chemical reactions in the condensed phase or within enzymes, both a quantum-mechanical description and sufficient configurational sampling is required to reach converged estimates. Here, quantum mechanics/molecular…

Chemical Physics · Physics 2022-10-05 Albert Hofstetter , Lennard Böselt , Sereina Riniker

We propose a non-intrusive Deep Learning-based Reduced Order Model (DL-ROM) capable of capturing the complex dynamics of mechanical systems showing inertia and geometric nonlinearities. In the first phase, a limited number of high fidelity…

Numerical Analysis · Mathematics 2021-11-25 Stefania Fresca , Giorgio Gobat , Patrick Fedeli , Attilio Frangi , Andrea Manzoni

We present SoftSMPL, a learning-based method to model realistic soft-tissue dynamics as a function of body shape and motion. Datasets to learn such task are scarce and expensive to generate, which makes training models prone to overfitting.…

Computer Vision and Pattern Recognition · Computer Science 2020-12-11 Igor Santesteban , Elena Garces , Miguel A. Otaduy , Dan Casas

This study proposes an end-to-end framework for solving multi-objective optimization problems (MOPs) using Deep Reinforcement Learning (DRL), that we call DRL-MOA. The idea of decomposition is adopted to decompose the MOP into a set of…

Neural and Evolutionary Computing · Computer Science 2020-04-28 Kaiwen Li , Tao Zhang , Rui Wang

Deep neural networks (DNN) have been used successfully in many scientific problems for their high prediction accuracy, but their application to genetic studies remains challenging due to their poor interpretability. In this paper, we…

Machine Learning · Computer Science 2021-10-01 Peyman H. Kassani , Fred Lu , Yann Le Guen , Zihuai He

Mixup is an efficient data augmentation approach that improves the generalization of neural networks by smoothing the decision boundary with mixed data. Recently, dynamic mixup methods have improved previous static policies effectively…

Machine Learning · Computer Science 2023-10-24 Zicheng Liu , Siyuan Li , Ge Wang , Cheng Tan , Lirong Wu , Stan Z. Li

We apply reduced-order modeling (ROM) techniques to single-phase flow in faulted porous media, accounting for changing rock properties and fault geometry variations using a radial basis function mesh deformation method. This approach…

Numerical Analysis · Mathematics 2024-03-07 Enrico Ballini , Luca Formaggia , Alessio Fumagalli , Anna Scotti , Paolo Zunino

The deformability of soft condensed matter often requires modelling of hydrodynamical aspects to gain quantitative understanding. This, however, requires specialised methods that can resolve the multiscale nature of soft matter systems. We…

Soft Condensed Matter · Physics 2017-12-22 Ulf D. Schiller , Timm Krüger , Oliver Henrich

In recent years, deep neural network (DNN) compression systems have proved to be highly effective for designing source codes for many natural sources. However, like many other machine learning systems, these compressors suffer from…

Machine Learning · Computer Science 2021-10-15 Eric Lei , Hamed Hassani , Shirin Saeedi Bidokhti

Multiscale dynamical systems, modeled by high-dimensional stiff ordinary differential equations (ODEs) with wide-ranging characteristic timescales, arise across diverse fields of science and engineering, but their numerical solvers often…

Numerical Analysis · Mathematics 2025-08-14 Junjie Yao , Yuxiao Yi , Liangkai Hang , Weinan E , Weizong Wang , Yaoyu Zhang , Tianhan Zhang , Zhi-Qin John Xu

In this paper, we demonstrate a computationally efficient new approach based on deep learning (DL) techniques for analysis, design, and optimization of electromagnetic (EM) nanostructures. We use the strong correlation among features of a…

Machine Learning · Computer Science 2020-02-13 Yashar Kiarashinejad , Sajjad Abdollahramezani , Ali Adibi

We discuss the design of state-of-the-art numerical methods for molecular dynamics, focusing on the demands of soft matter simulation, where the purposes include sampling and dynamics calculations both in and out of equilibrium. We discuss…

Computational Physics · Physics 2020-02-14 Xiaocheng Shang , Martin Kröger , Benedict Leimkuhler

Because of the unlimited range of state space, orbital angular momentum (OAM) as a new degree of freedom of light has attracted great attention in optical communication field. Recently there are a number of researches applying deep learning…

Optics · Physics 2021-06-14 Jiale Zhao , Yiming Li , Zijing Zhang , Longzhu Cen

With the continuous growth of processing power for scientific computing, first principles Born-Oppenheimer molecular dynamics (MD) simulations are becoming increasingly popular for the study of a wide range of problems in materials science,…

Materials Science · Physics 2015-06-04 Anders M. N. Niklasson , Marc J. Cawkwell

Recent developments in mechanical, aerospace, and structural engineering have driven a growing need for efficient ways to model and analyse structures at much larger and more complex scales than before. While established numerical methods…

Machine Learning · Computer Science 2025-07-29 Rui Wu , Nikola Kovachki , Burigede Liu

Deep neural network (DNN) generally takes thousands of iterations to optimize via gradient descent and thus has a slow convergence. In addition, softmax, as a decision layer, may ignore the distribution information of the data during…

Machine Learning · Computer Science 2021-06-16 Rui Zhang , Ziheng Jiao , Hongyuan Zhang , Xuelong Li

Non-uniform blind deblurring for general dynamic scenes is a challenging computer vision problem as blurs arise not only from multiple object motions but also from camera shake, scene depth variation. To remove these complicated motion…

Computer Vision and Pattern Recognition · Computer Science 2018-05-08 Seungjun Nah , Tae Hyun Kim , Kyoung Mu Lee

We develop a data-driven, model-free approach for the optimal control of the dynamical system. The proposed approach relies on the Deep Neural Network (DNN) based learning of Koopman operator for the purpose of control. In particular, DNN…

Machine Learning · Computer Science 2020-10-16 Yiqiang Han , Wenjian Hao , Umesh Vaidya
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