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Many important multi-component crystalline solids undergo mechanochemical spinodal decomposition: a phase transformation in which the compositional redistribution is coupled with structural changes of the crystal, resulting in dynamically…
Composed of amino acid chains that influence how they fold and thus dictating their function and features, proteins are a class of macromolecules that play a central role in major biological processes and are required for the structure,…
We develop and test new machine learning strategies for accelerating molecular crystal structure ranking and crystal property prediction using tools from geometric deep learning on molecular graphs. Leveraging developments in graph-based…
In this work, we perform semantic segmentation of multiple defect types in electron microscopy images of irradiated FeCrAl alloys using a deep learning Mask Regional Convolutional Neural Network (Mask R-CNN) model. We conduct an in-depth…
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…
High performance materials, from natural bone over ancient damascene steel to modern superalloys, typically possess a complex structure at the microscale. Their properties exceed those of the individual components and their knowledge-based…
The goal of our research is to develop methods advancing automatic visual recognition. In order to predict the unique or multiple labels associated to an image, we study different kind of Deep Neural Networks architectures and methods for…
The target of this paper is to recommend a way for Automated classification of Fish species. A high accuracy fish classification is required for greater understanding of fish behavior in Ichthyology and by marine biologists. Maintaining a…
Deep learning is catalyzing a scientific revolution fueled by big data, accessible toolkits, and powerful computational resources, impacting many fields including protein structural modeling. Protein structural modeling, such as predicting…
Deep learning architectures based on convolutional neural networks tend to rely on continuous, smooth features. While this characteristics provides significant robustness and proves useful in many real-world tasks, it is strikingly…
Deep learning has been widely used for hyperspectral pixel classification due to its ability of generating deep feature representation. However, how to construct an efficient and powerful network suitable for hyperspectral data is still…
Modern artificial neural networks, including convolutional neural networks and vision transformers, have mastered several computer vision tasks, including object recognition. However, there are many significant differences between the…
In recent years, there has been a growing interest in accelerated materials innovation in the context of the process-structure-property chain. In this regard, it is essential to take into account manufacturing processes and tailor materials…
Tens of thousands of galaxy-galaxy strong lensing systems are expected to be discovered by the end of the decade. These will form a vast new dataset that can be used to probe subgalactic dark matter structures through its gravitational…
Stochastic microstructure reconstruction involves digital generation of microstructures that match key statistics and characteristics of a (set of) target microstructure(s). This process enables computational analyses on ensembles of…
Microstructure is key to controlling and understanding the properties of metallic materials, but traditional approaches to describing microstructure capture only a small number of features. To enable data-centric approaches to materials…
Recent advancements in Artificial intelligence, especially deep learning, has changed many fields irreversibly by introducing state of the art methods for automation. Construction monitoring has not been an exception; as a part of…
Microstructure reconstruction has been an essential part of computational material engineering to reveal the relationship between microstructures and material properties. However, finding a general solution for microstructure…
Constructing of molecular structural models from Cryo-Electron Microscopy (Cryo-EM) density volumes is the critical last step of structure determination by Cryo-EM technologies. Methods have evolved from manual construction by structural…
Convolutional Neural Network (CNN) has gained state-of-the-art results in many pattern recognition and computer vision tasks. However, most of the CNN structures are manually designed by experienced researchers. Therefore, auto- matically…