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Learning representations of well-trained neural network models holds the promise to provide an understanding of the inner workings of those models. However, previous work has either faced limitations when processing larger networks or was…

Machine Learning · Computer Science 2024-06-17 Konstantin Schürholt , Michael W. Mahoney , Damian Borth

The goal of this work is to train a neural network which approximates solutions to the Navier-Stokes equations across a region of parameter space, in which the parameters define physical properties such as domain shape and boundary…

Computational Physics · Physics 2021-06-02 Christopher J Arthurs , Andrew P King

Climate change will jeopardize food security. Food security involves the robustness of the global agri-food system. This agri-food system is intricately connected to systems centering around health, economy, social-cultural diversity, and…

Physics and Society · Physics 2023-11-16 Marcel B. J. Meinders , Jack Yang , Erik van der Linden

The success of Deep Reinforcement Learning (DRL) is largely attributed to utilizing Artificial Neural Networks (ANNs) as function approximators. Recent advances in neuroscience have unveiled that the human brain achieves efficient…

Neural and Evolutionary Computing · Computer Science 2024-04-01 Duzhen Zhang , Qingyu Wang , Tielin Zhang , Bo Xu

This paper considers implementation of artificial neural networks (ANNs) using molecular computing and DNA based on fractional coding. Prior work had addressed molecular two-layer ANNs with binary inputs and arbitrary weights. In prior work…

Emerging Technologies · Computer Science 2020-03-10 Xingyi Liu , Keshab K. Parhi

This study evaluates the efficacy of two machine learning (ML) techniques, namely artificial neural networks (ANN) and gene expression programming (GEP) that use data-driven modeling to predict wall pressure spectra (WPS) underneath…

Fluid Dynamics · Physics 2024-02-27 Nachiketa Narayan Kurhade , Nagabhushana Rao Vadlamani , Akash Haridas

Due to imprecision and uncertainties in predicting real world problems, artificial neural network (ANN) techniques have become increasingly useful for modeling and optimization. This paper presents an artificial neural network approach for…

Neural and Evolutionary Computing · Computer Science 2014-12-09 Hasan M. H. Owda , Babatunji Omoniwa , Ahmad R. Shahid , Sheikh Ziauddin

Inexpensive machine learning potentials are increasingly being used to speed up structural optimization and molecular dynamics simulations of materials by iteratively predicting and applying interatomic forces. In these settings, it is…

Chemical Physics · Physics 2023-09-12 Jonas Busk , Mikkel N. Schmidt , Ole Winther , Tejs Vegge , Peter Bjørn Jørgensen

A novel approach is presented for the solution of instantaneous chemical equilibrium problems. The chemical equilibrium can be considered, due to its intrinsically local character, as a mapping of the three-dimensional parameter space…

Astrophysics · Physics 2009-11-11 A. Asensio Ramos , H. Socas-Navarro

Machine learning of atomic-scale properties is revolutionizing molecular modelling, making it possible to evaluate inter-atomic potentials with first-principles accuracy, at a fraction of the costs. The accuracy, speed and reliability of…

Computational Physics · Physics 2018-10-16 Giulio Imbalzano , Andrea Anelli , Daniele Giofr é , Sinja Klees , J örg Behler , Michele Ceriotti

In this work, we present a new fitting of the Na+HF potential energy surface (PES) utilizing a new optmization method based in Genetic Algorithm. Topology studies, such as isoenergetic contours and Minimum Energy Path(MEP), show that the…

Based on an analysis of the short range chemical environment of each atom in a system, standard machine learning based approaches to the construction of interatomic potentials aim at determining directly the central quantity which is the…

Materials Science · Physics 2015-08-05 S. Alireza Ghasemi , Albert Hofstetter , Santanu Saha , Stefan Goedecker

Artificial neural network (ANN) is a very useful tool in solving learning problems. Boosting the performances of ANN can be mainly concluded from two aspects: optimizing the architecture of ANN and normalizing the raw data for ANN. In this…

Machine Learning · Computer Science 2017-12-27 Qingjiu Zhang , Shiliang Sun

Abstract Machine learning models, trained on data from ab initio quantum simulations, are yielding molecular dynamics potentials with unprecedented accuracy. One limiting factor is the quantity of available training data, which can be…

Computational Physics · Physics 2020-06-11 Justin S. Smith , Nicholas Lubbers , Aidan P. Thompson , Kipton Barros

Artificial Neural Networks (ANNs) have found widespread applications in tasks such as pattern recognition and image classification. However, hardware implementations of ANNs using conventional binary arithmetic units are computationally…

Neural and Evolutionary Computing · Computer Science 2017-09-14 Ankit Mondal , Ankur Srivastava

Spiking Neural Networks (SNNs) are seen as an energy-efficient alternative to traditional Artificial Neural Networks (ANNs), but the performance gap remains a challenge. While this gap is narrowing through ANN-to-SNN conversion, substantial…

Computer Vision and Pattern Recognition · Computer Science 2024-12-24 Ziqing Wang , Yuetong Fang , Jiahang Cao , Hongwei Ren , Renjing Xu

Machine learning models are increasingly used in many engineering fields thanks to the widespread digital data, growing computing power, and advanced algorithms. Artificial neural networks (ANN) is the most popular machine learning model in…

Materials Science · Physics 2020-10-20 Xin Liu , Su Tian , Fei Tao , Haodong Du , Wenbin Yu

The interpretation of observations of atomic and molecular tracers in the galactic and extragalactic interstellar medium (ISM) requires comparisons with state-of-the-art astrophysical models to infer some physical conditions. Usually, ISM…

Although various linear log-distance path loss models have been developed, advanced models are requiring to more accurately and flexibly represent the path loss for complex environments such as the urban area. This letter proposes an…

Machine Learning · Computer Science 2019-04-05 Chanshin Park , Daniel K. Tettey , Han-Shin Jo

A nuclear reactor based on MIT BEAVRS benchmark was used as a typical power generating Pressurized Water Reactor (PWR). The PARCS v3.2 nodal-diffusion core simulator was used as a full-core reactor physics solver to emulate the operation of…

Machine Learning · Computer Science 2023-12-15 Krzysztof Palmi , Wojciech Kubinski , Piotr Darnowski
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