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Many natural and man-made systems are prone to critical transitions -- abrupt and potentially devastating changes in dynamics. Deep learning classifiers can provide an early warning signal (EWS) for critical transitions by learning generic…

Quantitative Methods · Quantitative Biology 2024-02-12 Thomas M. Bury , Daniel Dylewsky , Chris T. Bauch , Madhur Anand , Leon Glass , Alvin Shrier , Gil Bub

We introduce DeepDFT, a deep learning model for predicting the electronic charge density around atoms, the fundamental variable in electronic structure simulations from which all ground state properties can be calculated. The model is…

Computational Physics · Physics 2020-11-09 Peter Bjørn Jørgensen , Arghya Bhowmik

We use a convolutional neural network to retrieve the internuclear distance in the two-dimensional H$_2^{+}$ molecule ionized by a strong few-cycle laser pulse based on the photoelectron momentum distribution. We show that a neural network…

Atomic Physics · Physics 2022-02-16 N. I. Shvetsov-Shilovski , M. Lein

The electron density is a key parameter to characterize any plasma. Most of the plasma applications and research in the area of low-temperature plasmas (LTPs) are based on the accurate estimations of plasma density and plasma temperature.…

Skin lesion segmentation is a crucial step in the computer-aided diagnosis of dermoscopic images. In the last few years, deep learning based semantic segmentation methods have significantly advanced the skin lesion segmentation results.…

Image and Video Processing · Electrical Eng. & Systems 2020-08-20 Yaxiong Wang , Yunchao Wei , Xueming Qian , Li Zhu , Yi Yang

The deep learning technique has been applied for the first time to investigate the possibility of centrality determination in terms of the number of participants ($N_{\mathrm{part}}$) in high-energy heavy-ion collisions. For this purpose,…

High Energy Physics - Phenomenology · Physics 2023-08-16 Dipankar Basak , Kalyan Dey

Dusty plasmas are ubiquitous throughout the universe, spanning laboratory and industrial plasmas, fusion devices, planetary environments, cometary comae, and interstellar media. Despite decades of research, many aspects of their behavior…

Distilling data into compact and interpretable analytic equations is one of the goals of science. Instead, contemporary supervised machine learning methods mostly produce unstructured and dense maps from input to output. Particularly in…

Machine Learning · Computer Science 2021-05-14 Matthias Werner , Andrej Junginger , Philipp Hennig , Georg Martius

In recent years, machine learning (ML) methods have become increasingly popular in computational chemistry. After being trained on appropriate ab initio reference data, these methods allow to accurately predict the properties of chemical…

Chemical Physics · Physics 2019-09-25 Oliver T. Unke , Markus Meuwly

Machine-learning interatomic potentials (MLIPs) have enabled molecular dynamics at near ab initio accuracy, yet remain limited to energies and forces by construction, leaving electronic observables such as dipole moments and…

Accurate modeling of nuclear reaction cross-sections is crucial for applications such as hadron therapy, radiation protection, and nuclear reactor design. Despite continuous advancements in nuclear physics, significant discrepancies persist…

Computational Physics · Physics 2025-03-18 Levana Gesson , Greg Henning , Jonathan Collin , Marie Vanstalle

We have developed a deep learning algorithm for chemical shift prediction for atoms in molecular crystals that utilizes an atom-centered Gaussian density model for the 3D data representation of a molecule. We define multiple channels that…

Deep learning models have demonstrated remarkable success in various fields, including seismology. However, one major challenge in deep learning is the presence of mislabeled examples. Additionally, accurately estimating model uncertainty…

We develop a novel physics informed deep learning approach for solving nonlinear drift-diffusion equations on metric graphs. These models represent an important model class with a large number of applications in areas ranging from transport…

Machine Learning · Computer Science 2025-05-08 Jan Blechschmidt , Tom-Christian Riemer , Max Winkler , Martin Stoll , Jan-F. Pietschmann

Several neurodegenerative diseases involve the accumulation of cellular DNA damage. Comet assays are a popular way of estimating the extent of DNA damage. Current literature on the use of deep learning to quantify DNA damage presents an…

Quantitative Methods · Quantitative Biology 2021-12-28 Srikanth Namuduri , Prateek Mehta , Lise Barbe , Stephanie Lam , Zohreh Faghihmonzavi , Steve Finkbeiner , Shekhar Bhansali

This work presents predictive hydrodynamic simulations empowered by artificial intelligence (AI) for laser driven implosion experiments, taking the double-cone ignition (DCI) scheme as an example. A Transformer-based deep learning model…

Plasma Physics · Physics 2025-07-23 Zixu Wang , Yuhan Wang , Junfei Ma , Fuyuan Wu , Junchi Yan , Xiaohui Yuan , Zhe Zhang , Jie Zhang

A fully connected neural network was trained to model the K-shell ionization cross sections based on two input features: the atomic number and the incoming electron overvoltage. The training utilized a recent, updated compilation of…

Deep Learning is emerging as an effective technique to detect sophisticated cyber-attacks targeting Industrial Control Systems (ICSs). The conventional approach to detection in literature is to learn the "normal" behaviour of the system, to…

Cryptography and Security · Computer Science 2021-04-16 Maged Abdelaty , Roberto Doriguzzi-Corin , Domenico Siracusa

We introduce a new method, called CNNAS (convolutional neural networks for atomistic systems), for calculating the total energy of atomic systems which rivals the computational cost of empirical potentials while maintaining the accuracy of…

Materials Science · Physics 2018-03-21 Kevin Ryczko , Kyle Mills , Iryna Luchak , Christa Homenick , Isaac Tamblyn

Absolute cross sections for electron-impact single ionisation (EISI) of multiply charged tungsten ions (W$^{q+}$) with charge states in the range $ 11 \leq q \leq 18$ in the electron-ion collision energy ranges from below the respective…

Atomic Physics · Physics 2020-01-08 D. Schury , A. Borovik, , B. Ebinger , F. Jin , K. Spruck , A. Müller , S. Schippers