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Two-dimensional electronic spectroscopy has become one of the main experimental tools for analyzing the dynamics of excitonic energy transfer in large molecular complexes. Simplified theoretical models are usually employed to extract model…

Chemical Physics · Physics 2019-01-17 Mirta Rodríguez , Tobias Kramer

Deep Material Networks (DMNs) are structure-preserving, mechanistic machine learning models that embed micromechanical principles into their architectures, enabling strong extrapolation capabilities and significant potential to accelerate…

Machine Learning · Computer Science 2026-02-10 Xiaolong He , Haoyan Wei , Wei Hu , Henan Mao , C. T. Wu

Convolutional Neural Network (CNN) has gained state-of-the-art results in many pattern recognition and computer vision tasks. However, most of the CNN structures are manually designed by experienced researchers. Therefore, auto- matically…

Neural and Evolutionary Computing · Computer Science 2018-10-26 Guoqiang Zhong , Tao Li , Wenxue Liu , Yang Chen

Deep neural networks (DNNs) offer significant flexibility and robust performance. This makes them ideal for building not only system models but also advanced neural network controllers (NNCs). However, their high complexity and…

Machine Learning · Computer Science 2025-11-14 Ganesh Sundaram , Jonas Ulmen , Amjad Haider , Daniel Görges

Deep learning for distribution grid optimization can be advocated as a promising solution for near-optimal yet timely inverter dispatch. The principle is to train a deep neural network (DNN) to predict the solutions of an optimal power flow…

Optimization and Control · Mathematics 2020-07-09 Manish K. Singh , Sarthak Gupta , Vassilis Kekatos , Guido Cavraro , Andrey Bernstein

Defect detection is a basic and essential task in automatic parts production, especially for automotive engine precision parts. In this paper, we propose a new idea to construct a deep convolutional network combining related knowledge of…

Computer Vision and Pattern Recognition · Computer Science 2018-10-30 Zhenshen Qu , Jianxiong Shen , Ruikun Li , Junyu Liu , Qiuyu Guan

Deep learning algorithms have recently shown to be a successful tool in estimating parameters of statistical models for which simulation is easy, but likelihood computation is challenging. But the success of these approaches depends on…

Machine Learning · Statistics 2024-02-20 Amanda Lenzi , Haavard Rue

Most techniques for explainable machine learning focus on feature attribution, i.e., values are assigned to the features such that their sum equals the prediction. Example attribution is another form of explanation that assigns weights to…

Machine Learning · Computer Science 2025-02-28 Genghua Dong , Henrik Boström , Michalis Vazirgiannis , Roman Bresson

We present a physically-motivated topology of a deep neural network that can efficiently infer extensive parameters (such as energy, entropy, or number of particles) of arbitrarily large systems, doing so with O(N) scaling. We use a form of…

Computational Physics · Physics 2019-04-18 Kyle Mills , Kevin Ryczko , Iryna Luchak , Adam Domurad , Chris Beeler , Isaac Tamblyn

Deep learning models are defined in terms of a large number of hyperparameters, such as network architectures and optimiser settings. These hyperparameters must be determined separately from the model parameters such as network weights, and…

High Energy Physics - Phenomenology · Physics 2024-10-22 Juan Cruz-Martinez , Aaron Jansen , Gijs van Oord , Tanjona R. Rabemananjara , Carlos M. R. Rocha , Juan Rojo , Roy Stegeman

We consider numerical approaches for deterministic, finite-dimensional optimal control problems whose dynamics depend on unknown or uncertain parameters. We seek to amortize the solution over a set of relevant parameters in an offline stage…

Optimization and Control · Mathematics 2024-02-16 Deepanshu Verma , Nick Winovich , Lars Ruthotto , Bart van Bloemen Waanders

We introduce Neural Parameter Regression (NPR), a novel framework specifically developed for learning solution operators in Partial Differential Equations (PDEs). Tailored for operator learning, this approach surpasses traditional DeepONets…

Machine Learning · Computer Science 2024-03-20 Konrad Mundinger , Max Zimmer , Sebastian Pokutta

We propose a machine learning framework to accelerate numerical computations of time-dependent ODEs and PDEs. Our method is based on recasting (generalizations of) existing numerical methods as artificial neural networks, with a set of…

Numerical Analysis · Mathematics 2019-03-08 Siddhartha Mishra

We present a deep transformation model for probabilistic regression. Deep learning is known for outstandingly accurate predictions on complex data but in regression tasks, it is predominantly used to just predict a single number. This…

Machine Learning · Statistics 2020-04-02 Beate Sick , Torsten Hothorn , Oliver Dürr

Partial Differential Equations (PDE) are fundamental to model different phenomena in science and engineering mathematically. Solving them is a crucial step towards a precise knowledge of the behaviour of natural and engineered systems. In…

Neural networks are one tool for approximating non-linear differential equations used in scientific computing tasks such as surrogate modeling, real-time predictions, and optimal control. PDE foundation models utilize neural networks to…

Machine Learning · Computer Science 2025-02-11 Elisa Negrini , Yuxuan Liu , Liu Yang , Stanley J. Osher , Hayden Schaeffer

In this work we propose a novel and fully automated method for extracting the yarn geometrical features in woven composites so that a direct parametrization of the textile reinforcement is achieved (e.g., FE mesh). Thus, our aim is not only…

Computer Vision and Pattern Recognition · Computer Science 2021-06-29 Arturo Mendoza , Roger Trullo , Yanneck Wielhorski

The Deep Material Network (DMN) has emerged as a powerful framework for multiscale materials modeling, enabling efficient and accurate prediction of material behavior across different length scales. Unlike conventional data-driven…

Computational Engineering, Finance, and Science · Computer Science 2026-03-23 Ting-Ju Wei , Wen-Ning Wan , Chuin-Shan Chen

Neural networks have long strived to emulate the learning capabilities of the human brain. While deep neural networks (DNNs) draw inspiration from the brain in neuron design, their training methods diverge from biological foundations.…

Neural and Evolutionary Computing · Computer Science 2026-02-24 Joseph Bingham , Saman Zonouz , Dvir Aran

We introduce deep learning technique to predict the beam propagation factor M^2 of the laser beams emitting from few-mode fiber for the first time, to the best of our knowledge. The deep convolutional neural network (CNN) is trained with…

Image and Video Processing · Electrical Eng. & Systems 2019-07-16 Yi An , Jun Li , Liangjin Huang , Jinyong Leng , Lijia Yang , Pu Zhou