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Related papers: Deep learning and high harmonic generation

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We use HIP-NN, a neural network architecture that excels at predicting molecular energies, to predict atomic charges. The charge predictions are accurate over a wide range of molecules (both small and large) and for a diverse set of charge…

Neural networks are a prominent tool for identifying and modeling complex patterns, which are otherwise hard to detect and analyze. While machine learning and neural networks have been finding applications across many areas of science and…

Computational Physics · Physics 2021-06-25 Nikolai D. Klimkin , Álvaro Jiménez-Galán , Rui E. F. Silva , Misha Ivanov

Artificial intelligence methods including deep neural networks (DNN) can provide rapid molecular classification of tumors from routine histology with accuracy that matches or exceeds human pathologists. Discerning how neural networks make…

Deep generative models are increasingly used for molecular discovery, with most recent approaches relying on equivariant graph neural networks (GNNs) under the assumption that explicit equivariance is essential for generating high-quality…

Machine Learning · Computer Science 2025-07-15 Ewa M. Nowara , Joshua Rackers , Patricia Suriana , Pan Kessel , Max Shen , Andrew Martin Watkins , Michael Maser

Machine learning models differ in terms of accuracy, computational/memory complexity, training time, and adaptability among other characteristics. For example, neural networks (NNs) are well-known for their high accuracy due to the quality…

Machine Learning · Computer Science 2020-08-05 Mahdi Nazemi , Amirhossein Esmaili , Arash Fayyazi , Massoud Pedram

Learning distributions of graphs can be used for automatic drug discovery, molecular design, complex network analysis, and much more. We present an improved framework for learning generative models of graphs based on the idea of deep state…

Machine Learning · Computer Science 2021-12-07 Julian Stier , Michael Granitzer

Dose-Volume Histogram (DVH) prediction is fundamental in radiation therapy that facilitate treatment planning, dose evaluation, plan comparison and etc. It helps to increase the ability to deliver precise and effective radiation treatments…

Machine Learning · Computer Science 2024-02-05 Zehao Dong , Yixin Chen , Tianyu Zhao

Rapid development of big data and high-performance computing have encouraged explosive studies of deep learning in geoscience. However, most studies only take single-type data as input, frittering away invaluable multisource, multi-scale…

Machine Learning · Computer Science 2020-05-19 Zhenyu Yuan , Yuxin Jiang , Jingjing Li , Handong Huang

Deep neural networks (DNN) have an impressive ability to invert very complex models, i.e. to learn the generative parameters from a model's output. Once trained, the forward pass of a DNN is often much faster than traditional,…

Machine Learning · Computer Science 2021-07-23 Gaetan Rensonnet , Louise Adam , Benoit Macq

Generative deep learning methods built upon Convolutional Neural Networks (CNNs) provide a great tool for predicting non-linear structure in cosmology. In this work we predict high resolution dark matter halos from large scale, low…

Cosmology and Nongalactic Astrophysics · Physics 2022-04-25 David Schaurecker , Yin Li , Jeremy Tinker , Shirley Ho , Alexandre Refregier

Attempts to apply Neural Networks (NN) to a wide range of research problems have been ubiquitous and plentiful in recent literature. Particularly, the use of deep NNs for understanding complex physical and chemical phenomena has opened a…

Machine Learning · Computer Science 2021-12-01 Arijit Sehanobish , Hector H. Corzo , Onur Kara , David van Dijk

Deep learning algorithms demonstrate a surprising ability to learn high-dimensional tasks from limited examples. This is commonly attributed to the depth of neural networks, enabling them to build a hierarchy of abstract, low-dimensional…

Machine Learning · Computer Science 2024-07-04 Francesco Cagnetta , Leonardo Petrini , Umberto M. Tomasini , Alessandro Favero , Matthieu Wyart

Message passing on hypergraphs has been a standard framework for learning higher-order correlations between hypernodes. Recently-proposed hypergraph neural networks (HGNNs) can be categorized into spatial and spectral methods based on their…

Machine Learning · Computer Science 2024-05-28 Siddhant Saxena , Shounak Ghatak , Raghu Kolla , Debashis Mukherjee , Tanmoy Chakraborty

High harmonic generation (HHG) is a nonlinear process that enables table-top generation of tunable, high-energy, coherent, ultrashort radiation pulses in the extreme ultraviolet (EUV) to soft X-ray range. These pulses find applications in…

Deep learning is having a tremendous impact in many areas of computer science and engineering. Motivated by this success, deep neural networks are attracting an increasing attention in many other disciplines, including physical sciences. In…

Currently there is great interest in the utility of deep neural networks (DNNs) for the physical layer of radio frequency (RF) communications. In this manuscript, we describe a custom DNN specially designed to solve problems in the RF…

Signal Processing · Electrical Eng. & Systems 2021-09-23 Brian Shevitski , Yijing Watkins , Nicole Man , Michael Girard

Graph Neural Networks (GNN) have gained significant traction in the forecasting domain, especially for their capacity to simultaneously account for intra-series temporal correlations and inter-series relationships. This paper introduces a…

Machine Learning · Computer Science 2024-05-30 Abishek Sriramulu , Nicolas Fourrier , Christoph Bergmeir

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

In the past decade, deep neural networks (DNNs) came to the fore as the leading machine learning algorithms for a variety of tasks. Their raise was founded on market needs and engineering craftsmanship, the latter based more on trial and…

Machine Learning · Computer Science 2021-04-14 Omry Cohen , Or Malka , Zohar Ringel

The paper considers the problem of deep-learning-based classification of digitally modulated signals using I/Q data and studies the generalization ability of a trained neural network (NN) to correctly classify digitally modulated signals it…

Signal Processing · Electrical Eng. & Systems 2023-07-06 John A. Snoap , Dimitrie C. Popescu , Chad M. Spooner
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