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Yuanqi Du

Yuanqi Du

George Mason University

H-index: 18

North America-United States

Contact Yuanqi Du

About Yuanqi Du

Yuanqi Du, With an exceptional h-index of 18 and a recent h-index of 18 (since 2020), a distinguished researcher at George Mason University, specializes in the field of Probabilistic Machine Learning, Geometric Deep Learning, AI for Science, Interpretability.

His recent articles reflect a diverse array of research interests and contributions to the field:

Molecular Contrastive Pretraining with Collaborative Featurizations

Learning Over Molecular Conformer Ensembles: Datasets and Benchmarks

Controllable data generation by deep learning: A review

React-OT: Optimal Transport for Generating Transition State in Chemical Reactions

Traversing Chemical Space with Latent Potential Flows

Diffusion Models as Constrained Samplers for Optimization with Unknown Constraints

Accurate transition state generation with an object-aware equivariant elementary reaction diffusion model

On Separate Normalization in Self-supervised Transformers

Yuanqi Du Information

University

Position

Undergraduate Student of Computer Science

Citations(all)

1102

Citations(since 2020)

1099

Cited By

0

hIndex(all)

18

hIndex(since 2020)

18

i10Index(all)

23

i10Index(since 2020)

23

Email

University Profile Page

Google Scholar

Yuanqi Du Skills & Research Interests

Probabilistic Machine Learning

Geometric Deep Learning

AI for Science

Interpretability

Top articles of Yuanqi Du

Molecular Contrastive Pretraining with Collaborative Featurizations

Journal of Chemical Information and Modeling

2024

Yuanqi Du
Yuanqi Du

H-Index: 0

Shu Wu
Shu Wu

H-Index: 8

Learning Over Molecular Conformer Ensembles: Datasets and Benchmarks

2023/10/28

Keir Adams
Keir Adams

H-Index: 2

Zhen Liu
Zhen Liu

H-Index: 2

Yuanqi Du
Yuanqi Du

H-Index: 0

Jatin Chauhan
Jatin Chauhan

H-Index: 2

Olaf Wiest
Olaf Wiest

H-Index: 31

Yizhou Sun
Yizhou Sun

H-Index: 42

Wei Wang
Wei Wang

H-Index: 14

Controllable data generation by deep learning: A review

2022

Shiyu Wang
Shiyu Wang

H-Index: 8

Yuanqi Du
Yuanqi Du

H-Index: 0

Xiaojie Guo
Xiaojie Guo

H-Index: 8

Liang Zhao
Liang Zhao

H-Index: 7

React-OT: Optimal Transport for Generating Transition State in Chemical Reactions

arXiv preprint arXiv:2404.13430

2024/4/20

Chenru Duan
Chenru Duan

H-Index: 10

Guan-Horng Liu
Guan-Horng Liu

H-Index: 4

Yuanqi Du
Yuanqi Du

H-Index: 0

Carla P Gomes
Carla P Gomes

H-Index: 7

Traversing Chemical Space with Latent Potential Flows

2024/3/3

Yining Huang
Yining Huang

H-Index: 25

Chenru Duan
Chenru Duan

H-Index: 10

Diffusion Models as Constrained Samplers for Optimization with Unknown Constraints

arXiv preprint arXiv:2402.18012

2024/2/28

Dongxia Wu
Dongxia Wu

H-Index: 1

Aaron Ferber
Aaron Ferber

H-Index: 3

Yi-An Ma
Yi-An Ma

H-Index: 14

Carla P Gomes
Carla P Gomes

H-Index: 7

Chao Zhang
Chao Zhang

H-Index: 2

Accurate transition state generation with an object-aware equivariant elementary reaction diffusion model

Nature Computational Science

2023/12

Chenru Duan
Chenru Duan

H-Index: 10

Yuanqi Du
Yuanqi Du

H-Index: 0

On Separate Normalization in Self-supervised Transformers

Advances in Neural Information Processing Systems

2024/2/13

Xiaohui Chen
Xiaohui Chen

H-Index: 11

Yuanqi Du
Yuanqi Du

H-Index: 0

Soha Hassoun
Soha Hassoun

H-Index: 13

Liping Liu
Liping Liu

H-Index: 15

Scientific discovery in the age of artificial intelligence

2023/8/3

Hanchen Wang
Hanchen Wang

H-Index: 5

Tianfan Fu
Tianfan Fu

H-Index: 8

Yuanqi Du
Yuanqi Du

H-Index: 0

Wenhao Gao
Wenhao Gao

H-Index: 2

Kexin Huang
Kexin Huang

H-Index: 4

Ziming Liu
Ziming Liu

H-Index: 15

Payal Chandak
Payal Chandak

H-Index: 1

Anima Anandkumar
Anima Anandkumar

H-Index: 40

Karianne Bergen
Karianne Bergen

H-Index: 7

Carla P Gomes
Carla P Gomes

H-Index: 7

Joan Lasenby
Joan Lasenby

H-Index: 20

Jure Leskovec
Jure Leskovec

H-Index: 103

Debora Marks
Debora Marks

H-Index: 40

Bharath Ramsundar
Bharath Ramsundar

H-Index: 15

Le Song
Le Song

H-Index: 60

Jimeng Sun
Jimeng Sun

H-Index: 57

Jian Tang
Jian Tang

H-Index: 2

Max Welling
Max Welling

H-Index: 62

Linfeng Zhang
Linfeng Zhang

H-Index: 8

Yoshua Bengio
Yoshua Bengio

H-Index: 165

Marinka Zitnik
Marinka Zitnik

H-Index: 25

A Systematic Survey of Chemical Pre-trained Models

Proceedings of the Thirty-Second International Joint Conference on Artificial Intelligence

2023/8

Jun Xia
Jun Xia

H-Index: 9

Yuanqi Du
Yuanqi Du

H-Index: 0

Artificial intelligence for science in quantum, atomistic, and continuum systems

arXiv preprint arXiv:2307.08423

2023/7/17

Xuan Zhang
Xuan Zhang

H-Index: 2

Limei Wang
Limei Wang

H-Index: 3

Cong Fu
Cong Fu

H-Index: 7

Meng Liu
Meng Liu

H-Index: 4

Zhao Xu
Zhao Xu

H-Index: 6

Keir Adams
Keir Adams

H-Index: 2

Maurice Weiler
Maurice Weiler

H-Index: 8

Tianfan Fu
Tianfan Fu

H-Index: 8

Yucheng Wang
Yucheng Wang

H-Index: 12

Haiyang Yu
Haiyang Yu

H-Index: 15

Yuqing Xie
Yuqing Xie

H-Index: 4

Xiang Fu
Xiang Fu

H-Index: 13

Yi Liu
Yi Liu

H-Index: 21

Yuanqi Du
Yuanqi Du

H-Index: 0

Hannah Lawrence
Hannah Lawrence

H-Index: 5

Hannes Stärk
Hannes Stärk

H-Index: 1

Nicholas Gao
Nicholas Gao

H-Index: 1

Tailin Wu
Tailin Wu

H-Index: 9

Rui Wang
Rui Wang

H-Index: 3

Qian Huang
Qian Huang

H-Index: 10

Kamyar Azizzadenesheli
Kamyar Azizzadenesheli

H-Index: 14

Michael Bronstein
Michael Bronstein

H-Index: 7

Marinka Zitnik
Marinka Zitnik

H-Index: 25

Anima Anandkumar
Anima Anandkumar

H-Index: 40

Stefano Ermon
Stefano Ermon

H-Index: 38

Rose Yu
Rose Yu

H-Index: 17

Stephan Günnemann
Stephan Günnemann

H-Index: 30

Jure Leskovec
Jure Leskovec

H-Index: 103

Heng Ji
Heng Ji

H-Index: 42

Jimeng Sun
Jimeng Sun

H-Index: 57

Tommi Jaakkola
Tommi Jaakkola

H-Index: 60

MUBen: benchmarking the uncertainty of pre-trained models for molecular property prediction

arXiv preprint arXiv:2306.10060

2023/6/14

Yinghao Li
Yinghao Li

H-Index: 2

Lingkai Kong
Lingkai Kong

H-Index: 2

Yuanqi Du
Yuanqi Du

H-Index: 0

Yue Yu
Yue Yu

H-Index: 3

Yuchen Zhuang
Yuchen Zhuang

H-Index: 3

Chao Zhang
Chao Zhang

H-Index: 2

Weighted Sampling without Replacement for Deep Top- Classification

ICML 2023

2023/4/24

Dieqiao Feng
Dieqiao Feng

H-Index: 2

Yuanqi Du
Yuanqi Du

H-Index: 0

Carla P Gomes
Carla P Gomes

H-Index: 7

Bart Selman
Bart Selman

H-Index: 36

Uncovering Neural Scaling Law in Molecular Representation Learning

Advances in Neural Information Processing Systems

2023

Jieyu Zhang
Jieyu Zhang

H-Index: 4

Yuanqi Du
Yuanqi Du

H-Index: 0

Qiang Liu
Qiang Liu

H-Index: 6

Shu Wu
Shu Wu

H-Index: 8

Liang Wang
Liang Wang

H-Index: 3

M Hub: Unlocking the Potential of Machine Learning for Materials Discovery

arXiv preprint arXiv:2307.05378

2023/6/14

Yining Huang
Yining Huang

H-Index: 25

Tian Xie
Tian Xie

H-Index: 5

Chenru Duan
Chenru Duan

H-Index: 10

Carla P Gomes
Carla P Gomes

H-Index: 7

A new perspective on building efficient and expressive 3D equivariant graph neural networks

Advances in Neural Information Processing Systems

2023

Dieqiao Feng
Dieqiao Feng

H-Index: 2

Guifeng Wang
Guifeng Wang

H-Index: 4

Carla P Gomes
Carla P Gomes

H-Index: 7

Pik-fix: Restoring and colorizing old photos

2023

Runsheng Xu
Runsheng Xu

H-Index: 3

Yuanqi Du
Yuanqi Du

H-Index: 0

Jinlong Li
Jinlong Li

H-Index: 4

Jiaqi Ma
Jiaqi Ma

H-Index: 6

Hongkai Yu
Hongkai Yu

H-Index: 11

GAUCHE: A Library for Gaussian Processes in Chemistry

arXiv preprint arXiv:2212.04450

2022/12/6

Ryan-Rhys Griffiths
Ryan-Rhys Griffiths

H-Index: 5

Sang Truong
Sang Truong

H-Index: 1

Samuel Stanton
Samuel Stanton

H-Index: 2

Gary Tom
Gary Tom

H-Index: 2

Yuanqi Du
Yuanqi Du

H-Index: 0

Arian Jamasb
Arian Jamasb

H-Index: 4

Aryan Deshwal
Aryan Deshwal

H-Index: 5

Austin Tripp
Austin Tripp

H-Index: 2

Anthony Bourached
Anthony Bourached

H-Index: 2

Alex Chan
Alex Chan

H-Index: 2

Jacob Moss
Jacob Moss

H-Index: 1

Chengzhi Guo
Chengzhi Guo

H-Index: 1

Alan Aspuru-Guzik
Alan Aspuru-Guzik

H-Index: 75

Jian Tang
Jian Tang

H-Index: 2

Disentangled Spatiotemporal Graph Generative Models

2022/3

Yuanqi Du
Yuanqi Du

H-Index: 0

Xiaojie Guo
Xiaojie Guo

H-Index: 8

Liang Zhao
Liang Zhao

H-Index: 7

Interpretable Molecular Graph Generation via Monotonic Constraints

2022/4

Yuanqi Du
Yuanqi Du

H-Index: 0

Xiaojie Guo
Xiaojie Guo

H-Index: 8

Amarda Shehu
Amarda Shehu

H-Index: 21

Liang Zhao
Liang Zhao

H-Index: 7

See List of Professors in Yuanqi Du University(George Mason University)