20 citations · 33 across the 9 of their papers we have counts for
9 papers
DBMol: Design of High-Affinity, Target-Specific Small Molecules through Structure Prediction Models
Yiming Qin, Kai Yi, Miruna Cretu +3
Designing small molecule ligands that bind with high affinity to specific protein pockets is a fundamental goal in drug discovery, as small molecules constitute a major fraction of…
Score-matching-based Structure Learning for Temporal Data on Networks
Hao Chen, Kai Yi
Causal discovery is a crucial initial step in establishing causality from empirical data and background knowledge. Numerous algorithms have been developed for this purpose. Among t…
Graph Denoising Diffusion for Inverse Protein Folding
Kai Yi, Bingxin Zhou, Yiqing Shen +2
Inverse protein folding is challenging due to its inherent one-to-many mapping characteristic, where numerous possible amino acid sequences can fold into a single, identical protei…
Accurate and Definite Mutational Effect Prediction with Lightweight Equivariant Graph Neural Networks
Bingxin Zhou, Outongyi Lv, Kai Yi +4
Directed evolution as a widely-used engineering strategy faces obstacles in finding desired mutants from the massive size of candidate modifications. While deep learning methods le…
Adaptive Importance Sampling and Quasi-Monte Carlo Methods for 6G URLLC Systems
Xiongwen Ke, Houying Zhu, Kai Yi +3
In this paper, we propose an efficient simulation method based on adaptive importance sampling, which can automatically find the optimal proposal within the Gaussian family based o…
Approximate Equivariance SO(3) Needlet Convolution
Kai Yi, Jialin Chen, Yu Guang Wang +4
This paper develops a rotation-invariant needlet convolution for rotation group SO(3) to distill multiscale information of spherical signals. The spherical needlet transform is gen…