Qiang Liu

Liang Yao, Jiazhen Peng, Shenggong Ji et al.

Friend recall is an important way to improve Daily Active Users (DAU) in online games. The problem is to generate a proper lost friend ranking list essentially. Traditional friend recall methods focus on rules like friend intimacy or training a classifier for predicting lost players' return probability, but ignore feature information of (active) players and historical friend recall events. In this work, we treat friend recall as a link prediction problem and explore several link prediction methods which can use features of both active and lost players, as well as historical events. Furthermore, we propose a novel Edge Transformer model and pre-train the model via masked auto-encoders. Our method achieves state-of-the-art results in the offline experiments and online A/B Tests of three Tencent games.

Xiangxin Zhou, Yi Xiao, Haowei Lin et al.

The dynamic nature of proteins, influenced by ligand interactions, is essential for comprehending protein function and progressing drug discovery. Traditional structure-based drug design (SBDD) approaches typically target binding sites with rigid structures, limiting their practical application in drug development. While molecular dynamics simulation can theoretically capture all the biologically relevant conformations, the transition rate is dictated by the intrinsic energy barrier between them, making the sampling process computationally expensive. To overcome the aforementioned challenges, we propose to use generative modeling for SBDD considering conformational changes of protein pockets. We curate a dataset of apo and multiple holo states of protein-ligand complexes, simulated by molecular dynamics, and propose a full-atom flow model (and a stochastic version), named DynamicFlow, that learns to transform apo pockets and noisy ligands into holo pockets and corresponding 3D ligand molecules. Our method uncovers promising ligand molecules and corresponding holo conformations of pockets. Additionally, the resultant holo-like states provide superior inputs for traditional SBDD approaches, playing a significant role in practical drug discovery.