activity
20182022
most citedGeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation

182 citations · 274 across the 9 of their papers we have counts for

collaborators

18 papers

stat.ML20222 cited

Generalizing Bayesian Optimization with Decision-theoretic Entropies

Willie Neiswanger, Lantao Yu, Shengjia Zhao +2

Bayesian optimization (BO) is a popular method for efficiently inferring optima of an expensive black-box function via a sequence of queries. Existing information-theoretic BO proc…

cs.LG2022182 cited

GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation

Minkai Xu, Lantao Yu, Yang Song +3

Predicting molecular conformations from molecular graphs is a fundamental problem in cheminformatics and drug discovery. Recently, significant progress has been achieved with machi…

cs.LG20212 cited

Pseudo-Spherical Contrastive Divergence

Lantao Yu, Jiaming Song, Yang Song +1

Energy-based models (EBMs) offer flexible distribution parametrization. However, due to the intractable partition function, they are typically trained via contrastive divergence fo…

cs.LG2021

Multi-Agent Imitation Learning with Copulas

Hongwei Wang, Lantao Yu, Zhangjie Cao +1

Multi-agent imitation learning aims to train multiple agents to perform tasks from demonstrations by learning a mapping between observations and actions, which is essential for und…

cs.LG2020

Autoregressive Score Matching

Chenlin Meng, Lantao Yu, Yang Song +2

Autoregressive models use chain rule to define a joint probability distribution as a product of conditionals. These conditionals need to be normalized, imposing constraints on the…

cs.LG2020

Understanding Self-supervised Learning with Dual Deep Networks

Yuandong Tian, Lantao Yu, Xinlei Chen +1

We propose a novel theoretical framework to understand contrastive self-supervised learning (SSL) methods that employ dual pairs of deep ReLU networks (e.g., SimCLR). First, we pro…