Mohammad Rezaei

Mohammad Rezaei, Razieh Rastgoo, Vassilis Athitsos

3D hand pose estimation methods have made significant progress recently. However, the estimation accuracy is often far from sufficient for specific real-world applications, and thus there is significant room for improvement. This paper proposes TriHorn-Net, a novel model that uses specific innovations to improve hand pose estimation accuracy on depth images. The first innovation is the decomposition of the 3D hand pose estimation into the estimation of 2D joint locations in the depth image space (UV), and the estimation of their corresponding depths aided by two complementary attention maps. This decomposition prevents depth estimation, which is a more difficult task, from interfering with the UV estimations at both the prediction and feature levels. The second innovation is PixDropout, which is, to the best of our knowledge, the first appearance-based data augmentation method for hand depth images. Experimental results demonstrate that the proposed model outperforms the state-of-the-art methods on three public benchmark datasets. Our implementation is available at https://github.com/mrezaei92/TriHorn-Net.

Yanjun Li, Mohammad A. Rezaei, Chenglong Li et al.

The cornerstone of computational drug design is the calculation of binding affinity between two biological counterparts, especially a chemical compound, i.e., a ligand, and a protein. Predicting the strength of protein-ligand binding with reasonable accuracy is critical for drug discovery. In this paper, we propose a data-driven framework named DeepAtom to accurately predict the protein-ligand binding affinity. With 3D Convolutional Neural Network (3D-CNN) architecture, DeepAtom could automatically extract binding related atomic interaction patterns from the voxelized complex structure. Compared with the other CNN based approaches, our light-weight model design effectively improves the model representational capacity, even with the limited available training data. With validation experiments on the PDBbind v.2016 benchmark and the independent Astex Diverse Set, we demonstrate that the less feature engineering dependent DeepAtom approach consistently outperforms the other state-of-the-art scoring methods. We also compile and propose a new benchmark dataset to further improve the model performances. With the new dataset as training input, DeepAtom achieves Pearson's R=0.83 and RMSE=1.23 pK units on the PDBbind v.2016 core set. The promising results demonstrate that DeepAtom models can be potentially adopted in computational drug development protocols such as molecular docking and virtual screening.