Wang, Haorui

11 publications

AISTATS 2025 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

ICLR 2025 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

ICML 2025 LLM-Augmented Chemical Synthesis and Design Decision Programs Haorui Wang, Jeff Guo, Lingkai Kong, Rampi Ramprasad, Philippe Schwaller, Yuanqi Du, Chao Zhang

ICLRW 2025 LLM-Augmented Chemical Synthesis and Design Decision Programs Haorui Wang, Jeff Guo, Lingkai Kong, Rampi Ramprasad, Philippe Schwaller, Yuanqi Du, Chao Zhang

ICLRW 2025 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

NeurIPS 2024 Aligning Large Language Models with Representation Editing: A Control Perspective Lingkai Kong, Haorui Wang, Wenhao Mu, Yuanqi Du, Yuchen Zhuang, Yifei Zhou, Yue Song, Rongzhi Zhang, Kai Wang, Chao Zhang

ICMLW 2024 Aligning Large Language Models with Representation Editing: A Control Perspective Lingkai Kong, Haorui Wang, Wenhao Mu, Yuanqi Du, Yuchen Zhuang, Yifei Zhou, Yue Song, Rongzhi Zhang, Kai Wang, Chao Zhang

ICMLW 2024 Efficient Evolutionary Search over Chemical Space with Large Language Models Haorui Wang, Marta Skreta, Yuanqi Du, Wenhao Gao, Lingkai Kong, Cher Tian Ser, Felix Strieth-Kalthoff, Chenru Duan, Yuchen Zhuang, Yue Yu, Yanqiao Zhu, Alan Aspuru-Guzik, Kirill Neklyudov, Chao Zhang

ICMLW 2024 Efficient Evolutionary Search over Chemical Space with Large Language Models Haorui Wang, Marta Skreta, Yuanqi Du, Wenhao Gao, Lingkai Kong, Cher Tian Ser, Felix Strieth-Kalthoff, Chenru Duan, Yuchen Zhuang, Yue Yu, Yanqiao Zhu, Alan Aspuru-Guzik, Kirill Neklyudov, Chao Zhang

AISTATS 2024 Two Birds with One Stone: Enhancing Uncertainty Quantification and Interpretability with Graph Functional Neural Process Lingkai Kong, Haotian Sun, Yuchen Zhuang, Haorui Wang, Wenhao Mu, Chao Zhang

ICLR 2022 Equivariant and Stable Positional Encoding for More Powerful Graph Neural Networks Haorui Wang, Haoteng Yin, Muhan Zhang, Pan Li