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Many problems in science and engineering can be represented by a set of partial differential equations (PDEs) through mathematical modeling. Mechanism-based computation following PDEs has long been an essential paradigm for studying topics…

Machine Learning · Computer Science 2022-11-21 Shudong Huang , Wentao Feng , Chenwei Tang , Jiancheng Lv

Deep artificial neural networks are powerful tools with many possible applications in nanophotonics. Here, we demonstrate how a deep neural network can be used as a fast, general purpose predictor of the full near-field and far-field…

Computational Physics · Physics 2020-01-28 Peter R. Wiecha , Otto L. Muskens

For the past couple of decades, numerical optimization has played a central role in addressing wireless resource management problems such as power control and beamformer design. However, optimization algorithms often entail considerable…

Information Theory · Computer Science 2018-09-18 Haoran Sun , Xiangyi Chen , Qingjiang Shi , Mingyi Hong , Xiao Fu , Nicholas D. Sidiropoulos

Modern laboratory techniques like ultrafast laser excitation and shock compression can bring matter into highly nonequilibrium states with complex structural transformation, metallization and dissociation dynamics. To understand and model…

Computational Physics · Physics 2022-05-24 Qiyu Zeng , Bo Chen , Xiaoxiang Yu , Shen Zhang , Dongdong Kang , Han Wang , Jiayu Dai

Deep neural networks (DNNs) have become an enabling component for a myriad of artificial intelligence applications. DNNs have shown sometimes superior performance, even compared to humans, in cases such as self-driving, health applications,…

Neural and Evolutionary Computing · Computer Science 2023-07-12 Ghada Alsuhli , Vasileios Sakellariou , Hani Saleh , Mahmoud Al-Qutayri , Baker Mohammad , Thanos Stouraitis

Deep neural networks (DNNs) have been widely applied to solve real-world regression problems. However, selecting optimal network structures remains a significant challenge. This study addresses this issue by linking neuron selection in DNNs…

Computation · Statistics 2025-09-30 Noah Yi-Ting Hung , Li-Hsiang Lin , Vince D. Calhoun

In quantum mechanics, a norm squared wave function can be interpreted as the probability density that describes the likelihood of a particle to be measured in a given position or momentum. This statistical property is at the core of the…

Machine Learning · Computer Science 2020-11-12 Yingtao Luo , Xuefeng Zhu

Deep neural networks (DNNs) have been used to successfully predict molecular properties calculated based on the Kohn--Sham density functional theory (KS-DFT). Although this prediction is fast and accurate, we believe that a DNN model for…

Chemical Physics · Physics 2020-11-17 Masashi Tsubaki , Teruyasu Mizoguchi

Large-scale numerical simulations are used across many scientific disciplines to facilitate experimental development and provide insights into underlying physical processes, but they come with a significant computational cost. Deep neural…

The distribution of the weights of modern deep neural networks (DNNs) - crucial for uncertainty quantification and robustness - is an eminently complex object due to its extremely high dimensionality. This paper proposes one of the first…

Machine Learning · Statistics 2023-10-13 Olivier Laurent , Emanuel Aldea , Gianni Franchi

The success of deep learning has inspired recent interests in applying neural networks in statistical inference. In this paper, we investigate the use of deep neural networks for nonparametric regression with measurement errors. We propose…

Machine Learning · Statistics 2020-07-16 Zhirui Hu , Zheng Tracy Ke , Jun S Liu

Electron microscopy, while reliable, is an expensive, slow, and inefficient technique for thorough size distribution characterization of both mono- and polydisperse colloidal nanoparticles. If rapid in-situ characterization of colloid…

We scrutinize the structural and operational aspects of deep learning models, particularly focusing on the nuances of learnable parameters (weight) statistics, distribution, node interaction, and visualization. By establishing correlations…

Machine Learning · Computer Science 2024-08-22 Ziwei Zheng , Huizhi Liang , Vaclav Snasel , Vito Latora , Panos Pardalos , Giuseppe Nicosia , Varun Ojha

We apply supervised deep neural networks (DNNs) for pricing and calibration of both vanilla and exotic options under both diffusion and pure jump processes with and without stochastic volatility. We train our neural network models under…

Pricing of Securities · Quantitative Finance 2019-02-18 Ali Hirsa , Tugce Karatas , Amir Oskoui

Deep neural networks (DNNs) are widely used in pattern-recognition tasks for which a human comprehensible, quantitative description of the data-generating process, e.g., in the form of equations, cannot be achieved. While doing so, DNNs…

Machine Learning · Computer Science 2022-10-12 Antoine Garcon , Julian Vexler , Dmitry Budker , Stefan Kramer

Understanding deep neural networks (DNNs) is a key challenge in the theory of machine learning, with potential applications to the many fields where DNNs have been successfully used. This article presents a scaling limit for a DNN being…

Statistics Theory · Mathematics 2019-06-04 Dyego Araújo , Roberto I. Oliveira , Daniel Yukimura

Supervised learning on molecules has incredible potential to be useful in chemistry, drug discovery, and materials science. Luckily, several promising and closely related neural network models invariant to molecular symmetries have already…

Machine Learning · Computer Science 2017-06-14 Justin Gilmer , Samuel S. Schoenholz , Patrick F. Riley , Oriol Vinyals , George E. Dahl

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…

The properties of electrons in matter are of fundamental importance. They give rise to virtually all molecular and material properties and determine the physics at play in objects ranging from semiconductor devices to the interior of giant…

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
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