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Determining process-structure-property linkages is one of the key objectives in material science, and uncertainty quantification plays a critical role in understanding both process-structure and structure-property linkages. In this work, we…

Computational Engineering, Finance, and Science · Computer Science 2023-01-27 Anh Tran , Tim Wildey

Despite its empirical success, deep learning still lacks a comprehensive theoretical understanding of model fitting and generalization. This paper proposes the probability distribution (PD) learning framework to analyze the optimization and…

Machine Learning · Computer Science 2025-10-09 Binchuan Qi , Wei Gong , Li Li

We establish a series of deep convolutional neural networks to automatically analyze position averaged convergent beam electron diffraction patterns. The networks first calibrate the zero-order disk size, center position, and rotation…

Data Analysis, Statistics and Probability · Physics 2018-06-05 Weizong Xu , James M. LeBeau

The last decade has seen the parallel emergence in computational neuroscience and machine learning of neural network structures which spread the input signal randomly to a higher dimensional space; perform a nonlinear activation; and then…

Neural and Evolutionary Computing · Computer Science 2013-06-11 Jonathan Tapson , Andre van Schaik

We present a physically motivated strategy for the construction of training sets for transferable machine learning interatomic potentials. It is based on a systematic exploration of all possible space groups in random crystal structures,…

Materials Science · Physics 2023-03-29 Marvin Poul , Liam Huber , Erik Bitzek , Jörg Neugebauer

We present an extension of reverse engineered Kohn-Sham potentials from a density matrix renormalization group calculation towards the construction of a density functional theory functional via deep learning. Instead of applying machine…

Disordered Systems and Neural Networks · Physics 2021-05-05 Peter Schmitteckert

The conventional approach to nanophotonic metasurface design and optimization for a targeted electromagnetic response involves exploring large geometry and material spaces, which is computationally costly, time consuming and a highly…

Optics · Physics 2020-05-27 Abhishek Mall , Abhijeet Patil , Amit Sethi , Anshuman Kumar

Deep neural networks (DNN) have achieved unprecedented performance in computer-vision tasks almost ubiquitously in business, technology, and science. While substantial efforts are made to engineer highly accurate architectures and provide…

Image and Video Processing · Electrical Eng. & Systems 2022-09-08 Sumedha Singla

We demonstrate the implementation of a novel machine learning framework for probability density estimation and classification using quantum circuits. The framework maps a training data set or a single data sample to the quantum state of a…

Quantum Physics · Physics 2022-06-28 Vladimir Vargas-Calderón , Fabio A. González , Herbert Vinck-Posada

In this work, we propose a machine learning-based approach to address a specific aspect of the Quantum Marginal Problem: reconstructing a global density matrix compatible with a given set of quantum marginals. Our method integrates a…

Quantum Physics · Physics 2025-10-03 Daniel Uzcategui-Contreras , Antonio Guerra , Sebastian Niklitschek , Aldo Delgado

This short study reformulates the statistical Bayesian learning problem using a quantum mechanics framework. Density operators representing ensembles of pure states of sample wave functions are used in place probability densities. We show…

Statistics Theory · Mathematics 2023-01-18 Yann Berquin

In this paper, we developed a new PINN-based model to predict the potential of point-charged particles surrounded by conductive walls. As a result of the proposed physics-informed neural network model, the mean square error and R2 score are…

Computational Physics · Physics 2023-01-06 Fatemeh Hafezianzade , Morad Biagooi , SeyedEhsan Nedaaee Oskoee

This study presents a deep learning based methodology for both remote sensing and design of acoustic scatterers. The ability to determine the shape of a scatterer, either in the context of material design or sensing, plays a critical role…

Computational Physics · Physics 2023-06-30 Siddharth Nair , Timothy F. Walsh , Greg Pickrell , Fabio Semperlotti

This paper introduces a novel approach to solve inverse problems by leveraging deep learning techniques. The objective is to infer unknown parameters that govern a physical system based on observed data. We focus on scenarios where the…

Machine Learning · Computer Science 2023-10-02 Sidney Besnard , Frédéric Jurie , Jalal M. Fadili

Active matter systems, from self-propelled colloids to motile bacteria, are characterized by the conversion of free energy into useful work at the microscopic scale. They involve physics beyond the reach of equilibrium statistical…

Statistical Mechanics · Physics 2024-06-18 Nicholas M. Boffi , Eric Vanden-Eijnden

Metamaterials are artificially engineered structures that manipulate electromagnetic waves, having optical properties absent in natural materials. Recently, machine learning for the inverse design of metamaterials has drawn attention.…

In Fern\'andez-Dur\'an (2004), a new family of circular distributions based on nonnegative trigonometric sums (NNTS models) is developed. Because the parameter space of this family is the surface of the hypersphere, an efficient Newton-like…

Computation · Statistics 2025-01-10 Fernández-Durán , J. J. , Gregorio-Domínguez , M. M

A grand challenge in machine learning is the development of computational algorithms that match or outperform humans in perceptual inference tasks that are complicated by nuisance variation. For instance, visual object recognition involves…

Machine Learning · Statistics 2015-04-03 Ankit B. Patel , Tan Nguyen , Richard G. Baraniuk

Physics-informed neural networks (PINNs) are extensively employed to solve partial differential equations (PDEs) by ensuring that the outputs and gradients of deep learning models adhere to the governing equations. However, constrained by…

Machine Learning · Computer Science 2025-07-21 Chenhao Si , Ming Yan

We propose a learning paradigm for numerical approximation of differential invariants of planar curves. Deep neural-networks' (DNNs) universal approximation properties are utilized to estimate geometric measures. The proposed framework is…

Computer Vision and Pattern Recognition · Computer Science 2022-02-15 Roy Velich , Ron Kimmel
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