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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…
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…
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…
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.…
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,…
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…
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…
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…
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…
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…
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…
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…
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…
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…