462 citations · 2.5k across the 127 of their papers we have counts for
129 papers
DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design
Jiaqi Guan, Xiangxin Zhou, Yuwei Yang +6
Designing 3D ligands within a target binding site is a fundamental task in drug discovery. Existing structured-based drug design methods treat all ligand atoms equally, which ignor…
Nearly Minimax Optimal Regret for Learning Linear Mixture Stochastic Shortest Path
Qiwei Di, Jiafan He, Dongruo Zhou +1
We study the Stochastic Shortest Path (SSP) problem with a linear mixture transition kernel, where an agent repeatedly interacts with a stochastic environment and seeks to reach ce…
Sparse PCA with Oracle Property
Quanquan Gu, Zhaoran Wang, Han Liu
In this paper, we study the estimation of the -dimensional sparse principal subspace of covariance matrix in the high-dimensional setting. We aim to recover the oracle princ…
The Implicit Bias of Batch Normalization in Linear Models and Two-layer Linear Convolutional Neural Networks
Yuan Cao, Difan Zou, Yuanzhi Li +1
We study the implicit bias of batch normalization trained by gradient descent. We show that when learning a linear model with batch normalization for binary classification, gradien…
Cooperative Multi-Agent Reinforcement Learning: Asynchronous Communication and Linear Function Approximation
Yifei Min, Jiafan He, Tianhao Wang +1
We study multi-agent reinforcement learning in the setting of episodic Markov decision processes, where multiple agents cooperate via communication through a central server. We pro…
Robust Learning with Progressive Data Expansion Against Spurious Correlation
Yihe Deng, Yu Yang, Baharan Mirzasoleiman +1
While deep learning models have shown remarkable performance in various tasks, they are susceptible to learning non-generalizable spurious features rather than the core features th…