Haorui Wang

PhD student, CSE, Georgia Institute of Technology

Joined

September 2021

Names

Haorui Wang (Preferred)

Emails

****@whu.edu.cn (Confirmed)

****@gmail.com (Confirmed)

****@purdue.edu (Confirmed)

****@gatech.edu (Confirmed)

Personal Links

Career & Education History

PhD student

CSE, Georgia Institute of Technology (gatech.edu)

2022 – Present

Undergrad student

CSE, Wuhan University (whu.edu.cn)

2018 – 2022

Advisors, Relations & Conflicts

No relations added

Expertise

No areas of expertise listed

Publications

Accelerating Scientific Discovery with Autonomous Goal-evolving Agents
Yuanqi Du, Botao Yu, Tianyu Liu, Tony Shen, Junwu Chen, Jan G. Rittig, Kunyang Sun, Yikun Zhang, Cassandra Masschelein, Yingze Wang, Haorui Wang, Haojun Jia, Chao Zhang, Hongyu Zhao, Martin Ester, Teresa Head-Gordon, Carla P Gomes, Huan Sun, Chenru Duan, Philippe Schwaller et al. (1 additional authors not shown)
- P-AGI
- Readers: Everyone
Accelerating Scientific Discovery with Autonomous Goal-evolving Agents
Yuanqi Du, Botao Yu, Tianyu Liu, Tony Shen, Junwu Chen, Jan G. Rittig, Kunyang Sun, Yikun Zhang, Cassandra Masschelein, Yingze Wang, Haorui Wang, Haojun Jia, Chao Zhang, Hongyu Zhao, Martin Ester, Teresa Head-Gordon, Carla P Gomes, Huan Sun, Chenru Duan, Philippe Schwaller et al. (1 additional authors not shown)
- Gen² 2026 Poster
- Readers: Everyone
Accelerating Scientific Discovery with Autonomous Goal-evolving Agents
Yuanqi Du, Botao Yu, Tianyu Liu, Tony Shen, Junwu Chen, Jan G. Rittig, Kunyang Sun, Yikun Zhang, Cassandra Masschelein, Yingze Wang, Haorui Wang, Haojun Jia, Chao Zhang, Hongyu Zhao, Martin Ester, Teresa Head-Gordon, Carla P Gomes, Huan Sun, Chenru Duan, Philippe Schwaller et al. (1 additional authors not shown)
- GEM 2026
- Readers: Everyone
LLM-Augmented Chemical Synthesis and Design Decision Programs
Haorui Wang, Jeff Guo, Lingkai Kong, Rampi Ramprasad, Philippe Schwaller, Yuanqi Du, Chao Zhang
- ICLR 2025 Workshop AgenticAI Oral
- Readers: Everyone
LLM-Augmented Chemical Synthesis and Design Decision Programs
Haorui Wang, Jeff Guo, Lingkai Kong, Rampi Ramprasad, Philippe Schwaller, Yuanqi Du, Chao Zhang
- AI4MAT-ICLR-2025 Poster
- Readers: Everyone
Large Language Models Are Innate Crystal Structure Generators
Jingru Gan, Peichen Zhong, Yuanqi Du, Yanqiao Zhu, Chenru Duan, Haorui Wang, Daniel Schwalbe-Koda, Carla P Gomes, Kristin Persson, Wei Wang
- ICLR 2025 Workshop AgenticAI Oral
- Readers: Everyone
Large Language Models Are Innate Crystal Structure Generators
Jingru Gan, Peichen Zhong, Yuanqi Du, Yanqiao Zhu, Chenru Duan, Haorui Wang, Daniel Schwalbe-Koda, Carla P Gomes, Kristin Persson, Wei Wang
- AI4MAT-ICLR-2025 Poster
- Readers: Everyone
LLM-Augmented Chemical Synthesis and Design Decision Programs
Haorui Wang, Jeff Guo, Lingkai Kong, Rampi Ramprasad, Philippe Schwaller, Yuanqi Du, Chao Zhang
- ICML 2025 poster
- Readers: Everyone
Diffusion Models as Constrained Samplers for Optimization with Unknown Constraints
Lingkai Kong, Yuanqi Du, Wenhao Mu, Kirill Neklyudov, Valentin De Bortoli, Dongxia Wu, Haorui Wang, Aaron M Ferber, Yian Ma, Carla P Gomes, Chao Zhang
- AISTATS 2025 Poster
- Readers: Everyone
Efficient Evolutionary Search Over Chemical Space with Large Language Models
Haorui Wang, Marta Skreta, Cher Tian Ser, Wenhao Gao, Lingkai Kong, Felix Strieth-Kalthoff, Chenru Duan, Yuchen Zhuang, Yue Yu, Yanqiao Zhu, Yuanqi Du, Alan Aspuru-Guzik, Kirill Neklyudov, Chao Zhang
- ICLR 2025 Poster
- Readers: Everyone

View all 17 publications

Co-Authors

View all 51 co-authors