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Artificial neural networks (NNs) are one of the most frequently used machine learning approaches to construct interatomic potentials and enable efficient large-scale atomistic simulations with almost ab initio accuracy. However, the…

Computational Physics · Physics 2021-10-05 Viktor Zaverkin , David Holzmüller , Ingo Steinwart , Johannes Kästner

High-fidelity full-field micro-mechanical modeling of the non-linear path-dependent materials demands a substantial computational effort. Recent trends in the field incorporates data-driven Artificial Neural Networks (ANNs) as surrogate…

Materials Science · Physics 2023-11-27 Hon Lam Cheung , Petter Uvdal , Mohsen Mirkhalaf

The ability to understand and engineer molecular structures relies on having accurate descriptions of the energy as a function of atomic coordinates. Here we outline a new paradigm for deriving energy functions of hyperdimensional molecular…

Artificial neural network (ANN) potentials enable highly accurate atomistic simulations of complex materials at unprecedented scales. Despite their promise, training ANN potentials to represent intricate potential energy surfaces (PES) with…

Disordered Systems and Neural Networks · Physics 2025-11-11 In Won Yeu , Annika Stuke , Jon L. pez-Zorrilla , James M. Stevenson , David R. Reichman , Richard A. Friesner , Alexander Urban , Nongnuch Artrith

This paper aims to accelerate the test-time computation of deep convolutional neural networks (CNNs). Unlike existing methods that are designed for approximating linear filters or linear responses, our method takes the nonlinear units into…

Computer Vision and Pattern Recognition · Computer Science 2014-11-18 Xiangyu Zhang , Jianhua Zou , Xiang Ming , Kaiming He , Jian Sun

We propose a method to use artificial neural networks to approximate light scattering by multilayer nanoparticles. We find the network needs to be trained on only a small sampling of the data in order to approximate the simulation to high…

About half of the elements beyond iron are synthesized in stars by rapid-neutron capture process (r-process). The stellar environment provides very high neutron flux in a short time ($\sim$ seconds) which is conducive for the creation of…

Nuclear Theory · Physics 2023-06-05 Vinay Singh , Joydev Lahiri , Malay Kanti Dey , D. N. Basu

Neural network training process takes long time when the size of training data is huge, without the large set of training values the neural network is unable to learn features. This dilemma between time and size of data is often solved…

Machine Learning · Computer Science 2019-12-16 Siddhartha Dhar Choudhury , Shashank Pandey

Inverse problems are encountered in many domains of physics, with analytic continuation of the imaginary Green's function into the real frequency domain being a particularly important example. However, the analytic continuation problem is…

Computational Physics · Physics 2020-02-07 Romain Fournier , Lei Wang , Oleg V. Yazyev , QuanSheng Wu

Neural processes (NPs) learn stochastic processes and predict the distribution of target output adaptively conditioned on a context set of observed input-output pairs. Furthermore, Attentive Neural Process (ANP) improved the prediction…

Machine Learning · Computer Science 2019-10-22 Shenghao Qin , Jiacheng Zhu , Jimmy Qin , Wenshuo Wang , Ding Zhao

The customizable nature of deep learning models have allowed them to be successful predictors in various disciplines. These models are often trained with respect to thousands or millions of instances for complicated problems, but the…

Machine Learning · Computer Science 2019-12-24 Drimik Roy Chowdhury , Muhammad Firmansyah Kasim

Accurate short-term energy consumption forecasting is essential for efficient power grid management, resource allocation, and market stability. Traditional time-series models often fail to capture the complex, non-linear dependencies and…

Computers and Society · Computer Science 2026-01-27 Abhishek Maity , Viraj Tukarul

Modeling atmospheric chemistry is complex and computationally intense. Given the recent success of Deep neural networks in digital signal processing, we propose a Neural Network Emulator for fast chemical concentration modeling. We consider…

Machine Learning · Computer Science 2025-01-16 Zhi-Song Liu , Petri Clusius , Michael Boy

Enhancing the robustness and accuracy of time series forecasting models is an active area of research. Recently, Artificial Neural Networks (ANNs) have found extensive applications in many practical forecasting problems. However, the…

Neural and Evolutionary Computing · Computer Science 2013-02-27 Ratnadip Adhikari , R. K. Agrawal

Specialized accelerators have recently garnered attention as a method to reduce the power consumption of neural network inference. A promising category of accelerators utilizes nonvolatile memory arrays to both store weights and perform…

We investigate the interpolation of power spectra of matter fluctuations using Artificial Neural Network (PkANN). We present a new approach to confront small-scale non-linearities in the power spectrum of matter fluctuations. This…

Cosmology and Nongalactic Astrophysics · Physics 2012-09-27 Shankar Agarwal , Filipe B. Abdalla , Hume A. Feldman , Ofer Lahav , Shaun A. Thomas

The paradigm of automated waste classification has recently seen a shift in the domain of interest from conventional image processing techniques to powerful computer vision algorithms known as convolutional neural networks (CNN).…

Computer Vision and Pattern Recognition · Computer Science 2021-10-25 Mazin Abdulmahmood , Ryan Grammenos

Accurate thermal emission models of neutron stars are essential for constraining the dense matter equation of state. However, incorporating realistic magnetic field structures is computationally prohibitive, severely constraining feasible…

We investigate the impact of neutron capture rates near the A=130 peak on the $r$-process abundance pattern. We show that these capture rates can alter the abundances of individual nuclear species, not only in the region of A=130 peak, but…

Nuclear Theory · Physics 2009-12-31 R. Surman , J. Beun , G. C. McLaughlin , W. R. Hix

The availability of precise and accurate simulation is a limiting factor for interpreting and forecasting data in many fields of science and engineering. Often, one or more distinct simulation software applications are developed, each with…

High Energy Physics - Experiment · Physics 2025-02-19 Moritz Wolf , Lars O. Stietz , Patrick L. S. Connor , Peter Schleper , Samuel Bein
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