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Detection of cell nuclei in microscopic images is a challenging research topic, because of limitations in cellular image quality and diversity of nuclear morphology, i.e. varying nuclei shapes, sizes, and overlaps between multiple cell…

Computer Vision and Pattern Recognition · Computer Science 2018-07-10 Mohammad Tofighi , Tiantong Guo , Jairam K. P. Vanamala , Vishal Monga

Deep learning has led to a paradigm shift in artificial intelligence, including web, text and image search, speech recognition, as well as bioinformatics, with growing impact in chemical physics. Machine learning in general and deep…

The prediction of the atomistic structure and properties of crystals including defects based on ab-initio accurate simulations is essential for unraveling the nano-scale mechanisms that control the micromechanical and macroscopic behaviour…

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

Learning from data has led to paradigm shifts in a multitude of disciplines, including web, text, and image search, speech recognition, as well as bioinformatics. Can machine learning enable similar breakthroughs in understanding quantum…

SchNetPack is a toolbox for the development and application of deep neural networks to the prediction of potential energy surfaces and other quantum-chemical properties of molecules and materials. It contains basic building blocks of…

Computational Physics · Physics 2018-12-13 K. T. Schütt , P. Kessel , M. Gastegger , K. Nicoli , A. Tkatchenko , K. -R. Müller

Prediction of material properties from first principles is often a computationally expensive task. Recently, artificial neural networks and other machine learning approaches have been successfully employed to obtain accurate models at a low…

Computational Physics · Physics 2020-07-15 Ruggero Lot , Franco Pellegrini , Yusuf Shaidu , Emine Kucukbenli

Artificial and biological neural networks (ANNs and BNNs) can encode inputs in the form of combinations of individual neurons' activities. These combinatorial neural codes present a computational challenge for direct and efficient analysis…

Neural and Evolutionary Computing · Computer Science 2022-10-20 Thomas F Burns , Irwansyah

Machine learning approaches to nuclear mass prediction have achieved remarkable accuracy, but typically rely on existing theoretical baselines or hand-crafted physics features. Here we demonstrate that these prerequisites can be supplanted…

Nuclear Theory · Physics 2026-03-11 Peiwen Zai , Wei Cheng , Feng-Shou Zhang

Machine-learning models in chemistry - when based on descriptors of atoms embedded within molecules - face essential challenges in transferring the quality of predictions of local electronic structures and their associated properties across…

Chemical Physics · Physics 2024-09-27 Frederik Ø. Kjeldal , Janus J. Eriksen

This paper presents an implementation of multilayer feed forward neural networks (NN) to optimize CMOS analog circuits. For modeling and design recently neural network computational modules have got acceptance as an unorthodox and useful…

Neural and Evolutionary Computing · Computer Science 2012-12-13 Mriganka Chakraborty

Machine learning is applied to derive microscopically parameters of the interacting boson model for nuclear spectroscopy. A physics-guided neural network is proposed, which is trained to map the potential energy landscapes that are…

Nuclear Theory · Physics 2026-05-18 Y. Obata , K. Nomura

Machine learning has proven to be a valuable tool to approximate functions in high-dimensional spaces. Unfortunately, analysis of these models to extract the relevant physics is never as easy as applying machine learning to a large dataset…

Materials Science · Physics 2020-05-06 Conrad W. Rosenbrock , Eric R. Homer , Gábor Csányi , Gus L. W. Hart

New global statistical models of nuclidic (atomic) masses based on multilayered feedforward networks are developed. One goal of such studies is to determine how well the existing data, and only the data, determines the mapping from the…

Nuclear Theory · Physics 2008-11-26 S. Athanassopoulos , E. Mavrommatis , K. A. Gernoth , J. W. Clark

Artificial Neural Networks (ANNs) have been successfully used in various nuclear engineering applications, such as predicting reactor physics parameters within reasonable time and with a high level of accuracy. Despite this success, they…

Machine Learning · Statistics 2023-03-24 Lesego E. Moloko , Pavel M. Bokov , Xu Wu , Kostadin N. Ivanov

The information content of atomic resolution scanning transmission electron microscopy (STEM) images can often be reduced to a handful of parameters describing each atomic column, chief amongst which is the column position. Neural networks…

Materials Science · Physics 2023-02-22 Jingrui Wei , Ben Blaiszik , Aristana Scourtas , Dane Morgan , Paul M. Voyles

Artificial Neural Networks (ANNs) are becoming important tools in physics research and education because they help in data analysis and complement traditional analytical methods. In this work, ANN modeling is introduced in a standard…

Physics Education · Physics 2026-05-15 Saralasrita Mohanty , Prabhu Prasad Tripathy , Raja Das , Sudakshina Prusty

We present global predictions of the ground state mass of atomic nuclei based on a novel Machine Learning (ML) algorithm. We combine precision nuclear experimental measurements together with theoretical predictions of unmeasured nuclei.…

Nuclear Theory · Physics 2023-04-19 M. R. Mumpower , M. Li , T. M. Sprouse , B. S. Meyer , A. E. Lovell , A. T. Mohan

With the rise of deep neural networks for quantum chemistry applications, there is a pressing need for architectures that, beyond delivering accurate predictions of chemical properties, are readily interpretable by researchers. Here, we…

Computational Physics · Physics 2018-06-28 Kristof T. Schütt , Michael Gastegger , Alexandre Tkatchenko , Klaus-Robert Müller

Predicting material properties of 3D printed polymer products is a challenge in additive manufacturing due to the highly localized and complex manufacturing process. The microstructure of such products is fundamentally different from the…

Soft Condensed Matter · Physics 2023-11-01 Caglar Tamur , Shaofan Li , Danielle Zeng