相关论文: Machine learning and atomic layer deposition: pred…

In recent years, artificial neural networks and their applications for large data sets have became a crucial part of scientific research. In this work, we implement the Multilayer Perceptron (MLP), which is a class of feedforward artificial…

Although the neural network (NN) technique plays an important role in machine learning, understanding the mechanism of NN models and the transparency of deep learning still require more basic research. In this study, we propose a novel…

A deep neural network (DNN) model consisting of two hidden layers was proposed for predicting the immediate environments of specific atoms based on X-ray absorption near-edge spectra (XANES). The output layer of the DNN can be adjusted to…

The paper discusses regularization properties of artificial data for deep learning. Artificial datasets allow to train neural networks in the case of a real data shortage. It is demonstrated that the artificial data generation process,…

We demonstrate that a committee of deep neural networks is capable of predicting the ground-state and excited energies of more than 1800 atomic nuclei with an accuracy akin to the one achieved by state-of-the-art nuclear energy density…

Deep neural networks have rightfully won the place of one of the most accurate analysis tools in high energy physics. In this paper we will cover several methods of improving the performance of a deep neural network in a classification task…

Many state-of-the-art algorithms for solving hard combinatorial problems in artificial intelligence (AI) include elements of stochasticity that lead to high variations in runtime, even for a fixed problem instance. Knowledge about the…

In this work we explore surrogate models to optimize plasma enhanced atomic layer deposition (PEALD) in high aspect ratio features. In plasma-based processes such as PEALD and atomic layer etching, surface recombination can dominate the…

We present a data-driven analysis of dipole strength functions across the nuclear chart, employing an artificial neural network to model and predict nuclear dipole responses. We train the network on a dataset of experimentally measured…

The viscosity of lead-containing glasses is of fundamental importance for the manufacturing process, and can be predicted by algorithms such as artificial neural networks. The SciGlass database was used to provide training, validation and…

Many important physical processes have dynamics that are too complex to completely model analytically. Optimisation of such processes often relies on intuition, trial-and-error, or the construction of empirical models. Machine learning…

Artificial neural networks learn various rules and algorithms to form different ways of processing information, and have been widely used in various chemical processes. Among them, with the development of rectification technology, its…

Progress in the application of machine learning techniques to the prediction of solid-state and molecular materials properties has been greatly facilitated by the development state-of-the-art feature representations and novel deep learning…

The increasing complexity of deep learning architectures is resulting in training time requiring weeks or even months. This slow training is due in part to vanishing gradients, in which the gradients used by back-propagation are extremely…

Recent research on deep learning, a set of machine learning techniques able to learn deep architectures, has shown how robotic perception and action greatly benefits from these techniques. In terms of spacecraft navigation and control…

Recent advances in scanning transmission electron and scanning probe microscopies have opened exciting opportunities in probing the materials structural parameters and various functional properties in real space with angstrom-level…

Deep learning is having a tremendous impact in many areas of computer science and engineering. Motivated by this success, deep neural networks are attracting an increasing attention in many other disciplines, including physical sciences. In…

Machine Learning facilitates building a large variety of models, starting from elementary linear regression models to very complex neural networks. Neural networks are currently limited by the size of data provided and the huge…

Recent advances in machine-learning interatomic potentials have enabled the efficient modeling of complex atomistic systems with an accuracy that is comparable to that of conventional quantum mechanics based methods. At the same time, the…

In the past two decades, machine learning potentials (MLP) have reached a level of maturity that now enables applications to large-scale atomistic simulations of a wide range of systems in chemistry, physics and materials science. Different…