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Convolutional neural networks are increasingly being used to analyze and classify material microstructures, motivated by the possibility that they will be able to identify relevant microstructural features more efficiently and impartially…

Convolutional neural network (CNN) based architectures, such as Mask R-CNN, constitute the state of the art in object detection and segmentation. Recently, these methods have been extended for model-based segmentation where the network…

We introduce the use of Crystal Graph Convolutional Neural Networks (CGCNN), Fully Connected Neural Networks (FCNN) and XGBoost to predict thermoelectric properties. The dataset for the CGCNN is independent of Density Functional Theory…

Machine learning algorithms have been available since the 1990s, but it is much more recently that they have come into use also in the physical sciences. While these algorithms have already proven to be useful in uncovering new properties…

Computational fluid dynamics (CFD) is a valuable tool for personalised, non-invasive evaluation of hemodynamics in arteries, but its complexity and time-consuming nature prohibit large-scale use in practice. Recently, the use of deep…

The presence of point defects such as vacancies plays an important role in material design. Here, we demonstrate that a graph neural network (GNN) model trained only on perfect materials can also be used to predict vacancy formation…

Computational material modeling using advanced numerical techniques speeds up the design process and reduces the costs of developing new engineering products. In the field of multiscale modeling, huge computation efforts are expected for…

We present a novel deep learning (DL) approach to produce highly accurate predictions of macroscopic physical properties of solid solution binary alloys and magnetic systems. The major idea is to make use of the correlations between…

During the past decade, with the significant progress of computational power as well as ever-rising data availability, deep learning techniques became increasingly popular due to their excellent performance on computer vision problems. The…

To predict lung nodule malignancy with a high sensitivity and specificity, we propose a fusion algorithm that combines handcrafted features (HF) into the features learned at the output layer of a 3D deep convolutional neural network (CNN).…

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…

The widespread availability of electronic health records (EHRs) promises to usher in the era of personalized medicine. However, the problem of extracting useful clinical representations from longitudinal EHR data remains challenging. In…

Accurate material recognition is critical for safe and effective laser cutting, as misidentification can lead to poor cut quality, machine damage, or the release of hazardous fumes. Laser speckle sensing has recently emerged as a low-cost…

This paper presents an end-to-end convolutional neural network (CNN) for 2D-3D exemplar detection. We demonstrate that the ability to adapt the features of natural images to better align with those of CAD rendered views is critical to the…

Differential dynamic microscopy (DDM) typically relies on movies containing hundreds or thousands of frames to accurately quantify motion in soft matter systems. Using movies much shorter in duration produces noisier and less accurate…

In this study, we employ Graph Neural Networks (GNNs) to accelerate the discovery of novel 2D magnetic materials which have transformative potential in spintronics applications. Using data from the Materials Project database and the…

Machine learning has become a crucial tool for predicting the properties of crystalline materials. However, existing methods primarily represent material information by constructing multi-edge graphs of crystal structures, often overlooking…

Forthcoming imaging surveys will potentially increase the number of known galaxy-scale strong lenses by several orders of magnitude. For this to happen, images of tens of millions of galaxies will have to be inspected to identify potential…

Coronary Artery Disease (CAD) diagnostic to be a major global cause of death, necessitating innovative solutions. Addressing the critical importance of early CAD detection and its impact on the mortality rate, we propose the potential of…

In this paper, we consider a numerical homogenization of the poroelasticity problem with stochastic properties. The proposed method based on the construction of the deep neural network (DNN) for fast calculation of the effective properties…