activity
20162026
most citedGeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation

182 citations · 280 across the 14 of their papers we have counts for

collaborators
Showing cs.LGShow all

18 papers · 1 filter

cs.LG2023

Offline Imitation Learning with Suboptimal Demonstrations via Relaxed Distribution Matching

Lantao Yu, Tianhe Yu, Jiaming Song +2

Offline imitation learning (IL) promises the ability to learn performant policies from pre-collected demonstrations without interactions with the environment. However, imitating be…

cs.LG2022★ 2 cited

A General Recipe for Likelihood-free Bayesian Optimization

Jiaming Song, Lantao Yu, Willie Neiswanger +1

The acquisition function, a critical component in Bayesian optimization (BO), can often be written as the expectation of a utility function under a surrogate model. However, to ens…

cs.LG2022★ 182 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.LG2021★ 2 cited

A Unified Framework for Multi-distribution Density Ratio Estimation

Lantao Yu, Yujia Jin, Stefano Ermon

Binary density ratio estimation (DRE), the problem of estimating the ratio given their empirical samples, provides the foundation for many state-of-the-art machine learni…

cs.LG2021★ 2 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…