Physical Sciences and Mathematics Commons^™

Algebraic Graph-Assisted Bidirectional Transformers For Molecular Property Prediction, Dong Chen, Kaifu Gao, Duc Duy Nguyen, Xin Chen, Yi Jiang, Guo-Wei Wei, Feng Pan

Mathematics Faculty Publications

The ability of molecular property prediction is of great significance to drug discovery, human health, and environmental protection. Despite considerable efforts, quantitative prediction of various molecular properties remains a challenge. Although some machine learning models, such as bidirectional encoder from transformer, can incorporate massive unlabeled molecular data into molecular representations via a self-supervised learning strategy, it neglects three-dimensional (3D) stereochemical information. Algebraic graph, specifically, element-specific multiscale weighted colored algebraic graph, embeds complementary 3D molecular information into graph invariants. We propose an algebraic graph-assisted bidirectional transformer (AGBT) framework by fusing representations generated by algebraic graph and bidirectional transformer, as well as …

Revisiting Absolute Pose Regression, Hunter Blanton

Theses and Dissertations--Computer Science

Images provide direct evidence for the position and orientation of the camera in space, known as camera pose. Traditionally, the problem of estimating the camera pose requires reference data for determining image correspondence and leveraging geometric relationships between features in the image. Recent advances in deep learning have led to a new class of methods that regress the pose directly from a single image.

This thesis proposes methods for absolute camera pose regression. Absolute pose regression estimates the pose of a camera from a single image as the output of a fixed computation pipeline. These methods have many practical benefits …