相关论文: Extending Shannon's Ionic Radii Database Using Mac…

Nuclear masses are machine-learned as a function of proton and neutron numbers. The neural network with additive Gaussian process regression-optimized activation functions (GPR-NN) method is employed for the first time for this purpose.…

Materials design problems often require optimizing multiple variables, rendering full factorial exploration impractical. Design of experiment (DOE) methods, such as Taguchi technique, are commonly used to efficiently sample the design space…

Crystal-graph attention networks have emerged recently as remarkable tools for the prediction of thermodynamic stability and materials properties from unrelaxed crystal structures. Previous networks trained on two million materials…

Machine Learning (ML) is accelerating the progress of materials prediction and classification, with particular success in CGNN designs. While classical ML methods remain accessible, advanced deep networks are still challenging to build and…

Gaussian process regression machine learning with a physically-informed kernel is used to model the phase compositions of nickel-base superalloys. The model delivers good predictions for laboratory and commercial superalloys, with $R^2>0.8$…

Machine learning (ML) is widely used to explore crystal materials and predict their properties. However, the training is time-consuming for deep-learning models, and the regression process is a black box that is hard to interpret. Also, the…

Gaussian process regression (GPR) or kernel ridge regression is a widely used and powerful tool for nonlinear prediction. Therefore, active learning (AL) for GPR, which actively collects data labels to achieve an accurate prediction with…

A multi-task Gaussian process (GP) machine learning model is introduced to simultaneously predict two important nuclear observables across the nuclear chart, namely nuclear masses and charge radii. Utilizing 12 physical input features, our…

Gaussian process regression (GPR) is a fundamental model used in machine learning. Owing to its accurate prediction with uncertainty and versatility in handling various data structures via kernels, GPR has been successfully used in various…

The aim of this work was to predict the probability of the spread of rock formations with hydrocarbon-collecting properties in the studied coastal area using a stack of machine learning algorithms and data augmentation and modification…

This article proposes a Mix Neural Network (MNN) based on CNN-FCNN for predicting magnetic loss of different materials. In traditional magnetic core loss models, empirical equations usually need to be regressed under the same external…

Quantitative structure-activity relationship (QSAR) modelling is widely employed in materials science to predict properties of interest and extract useful descriptors for measured properties. In thermal barrier coatings (TBC), QSAR can…

Background: Accurate and fast dose calculation is essential for optimizing carbon ion therapy. Existing machine learning (ML) models have been developed for other radiotherapy modalities. They use patient data with uniform CT imaging…

Machine learning (ML) has become a standard tool for the exploration of chemical space. Much of the performance of such models depends on the chosen database for a given task. Here, this aspect is investigated for "chemical tasks" including…

This paper shows how data-driven machine learning approaches can improve growth control, reproducibility, and physical insight in the pulsed laser deposition (PLD) growth of correlated oxides. Despite well-known relationships between growth…

Machine learning techniques have successfully been used to extract structural information such as the crystal space group from powder X-ray diffractograms. However, training directly on simulated diffractograms from databases such as the…

Researchers in the field of ultra-intense laser science are beginning to embrace machine learning methods. In this study we consider three different machine learning methods -- a two-hidden layer neural network, Support Vector Regression…

The high demand for fabricating microresonators with desired optical properties has led to various techniques to optimize geometries, mode structures, nonlinearities and dispersion. Depending on applications, the dispersion in such…

Machine learning (ML) based materials discovery has emerged as one of the most promising approaches for breakthroughs in materials science. While heuristic knowledge based descriptors have been combined with ML algorithms to achieve good…

We present a deep machine learning algorithm to extract crystal field (CF) Stevens parameters from thermodynamic data of rare-earth magnetic materials. The algorithm employs a two-dimensional convolutional neural network (CNN) that is…