A Deep-Learning Approach For Direct Whole-Heart Mesh Reconstruction

Automated construction of surface geometries of cardiac structures from volumetric medical images is important for a number of clinical applications. While deep-learning based approaches have demonstrated promising reconstruction precision, these approaches have mostly focused on voxel-wise segmentation followed by surface reconstruction and post-processing techniques. However, such approaches suffer from a number of limitations including disconnected regions or incorrect surface topology due to erroneous segmentation and stair-case artifacts due to limited segmentation resolution. We propose a novel deep-learning-based approach that directly predicts whole heart surface meshes from volumetric CT and MR image data. Our approach leverages a graph convolutional neural network to predict deformation on mesh vertices from a pre-defined mesh template to reconstruct multiple anatomical structures in a 3D image volume. Our method demonstrated promising performance of generating high-resolution and high-quality whole heart reconstructions and outperformed prior deep-learning based methods on both CT and MR data in terms of precision and surface quality. Furthermore, our method can more efficiently produce temporally-consistent and feature-corresponding surface mesh predictions for heart motion from CT or MR cine sequences, and therefore can potentially be applied for efficiently constructing 4D whole heart dynamics.

Graph Neural Network for Hamiltonian-Based Material Property Prediction

Development of next-generation electronic devices for applications call for the discovery of quantum materials hosting novel electronic, magnetic, and topological properties. Traditional electronic structure methods require expensive computation time and memory consumption, thus a fast and accurate prediction model is desired with increasing importance. Representing the interactions among atomic orbitals in any material, a material Hamiltonian provides all the essential elements that control the structure-property correlations in inorganic compounds. Effective learning of material Hamiltonian by developing machine learning methodologies therefore offers a transformative approach to accelerate the discovery and design of quantum materials. With this motivation, we present and compare several different graph convolution networks that are able to predict the band gap for inorganic materials. The models are developed to incorporate two different features: the information of each orbital itself and the interaction between each other. The information of each orbital includes the name, relative coordinates with respect to the center of super cell and the atom number, while the interaction between orbitals are represented by the Hamiltonian matrix. The results show that our model can get a promising prediction accuracy with cross-validation.