Song, Yuxuan

30 publications

TMLR 2026 ACDiT: Interpolating Autoregressive Conditional Modeling and Diffusion Transformer Jinyi Hu, Shengding Hu, Yuxuan Song, Yufei Huang, Mingxuan Wang, Hao Zhou, Zhiyuan Liu, Wei-Ying Ma, Maosong Sun

AISTATS 2025 $f$-PO: Generalizing Preference Optimization with $f$-Divergence Minimization Jiaqi Han, Mingjian Jiang, Yuxuan Song, Stefano Ermon, Minkai Xu

ICLR 2025 A Periodic Bayesian Flow for Material Generation Hanlin Wu, Yuxuan Song, Jingjing Gong, Ziyao Cao, Yawen Ouyang, Jianbing Zhang, Hao Zhou, Wei-Ying Ma, Jingjing Liu

ICLRW 2025 ACDiT: Interpolating Autoregressive Conditional Modeling and Diffusion Transformer Jinyi Hu, Shengding Hu, Yuxuan Song, Yufei Huang, Mingxuan Wang, Hao Zhou, Zhiyuan Liu, Wei-Ying Ma, Maosong Sun

NeurIPS 2025 Accelerating 3D Molecule Generative Models with Trajectory Diagnosis Zhilong Zhang, Yuxuan Song, Yichun Wang, Jingjing Gong, Hanlin Wu, Dongzhan Zhou, Hao Zhou, Wei-Ying Ma

NeurIPS 2025 DAPO: An Open-Source LLM Reinforcement Learning System at Scale Qiying Yu, Zheng Zhang, Ruofei Zhu, Yufeng Yuan, Xiaochen Zuo, YuYue, Weinan Dai, Tiantian Fan, Gaohong Liu, Juncai Liu, LingJun Liu, Xin Liu, Haibin Lin, Zhiqi Lin, Bole Ma, Guangming Sheng, Yuxuan Tong, Chi Zhang, Mofan Zhang, Ru Zhang, Wang Zhang, Hang Zhu, Jinhua Zhu, Jiaze Chen, Jiangjie Chen, Chengyi Wang, Hongli Yu, Yuxuan Song, Xiangpeng Wei, Hao Zhou, Jingjing Liu, Wei-Ying Ma, Ya-Qin Zhang, Lin Yan, Yonghui Wu, Mingxuan Wang

ICML 2025 Empower Structure-Based Molecule Optimization with Gradient Guided Bayesian Flow Networks Keyue Qiu, Yuxuan Song, Jie Yu, Hongbo Ma, Ziyao Cao, Zhilong Zhang, Yushuai Wu, Mingyue Zheng, Hao Zhou, Wei-Ying Ma

AAAI 2025 Knowledge-Enhanced Hierarchical Heterogeneous Graph for Personality Identification with Limited Training Data Yuxuan Song, Qiudan Li, Yilin Wu, David Jingjun Xu, Daniel Dajun Zeng

NeurIPS 2025 MOF-BFN: Metal-Organic Frameworks Structure Prediction via Bayesian Flow Networks Rui Jiao, Hanlin Wu, Wenbing Huang, Yuxuan Song, Yawen Ouyang, Yu Rong, Tingyang Xu, Pengju Wang, Hao Zhou, Wei-Ying Ma, Jingjing Liu, Yang Liu

ICML 2025 Piloting Structure-Based Drug Design via Modality-Specific Optimal Schedule Keyue Qiu, Yuxuan Song, Zhehuan Fan, Peidong Liu, Zhe Zhang, Mingyue Zheng, Hao Zhou, Wei-Ying Ma

ICLRW 2025 Piloting Structure-Based Drug Design via Modality-Specific Optimal Schedule Keyue Qiu, Yuxuan Song, Zhehuan Fan, Peidong Liu, Zhe Zhang, Mingyue Zheng, Hao Zhou, Wei-Ying Ma

NeurIPS 2025 Rationalized All-Atom Protein Design with Unified Multi-Modal Bayesian Flow Hanlin Wu, Yuxuan Song, Zhe Zhang, Zhilong Zhang, Hao Zhou, Wei-Ying Ma, Jingjing Liu

NeurIPS 2025 Retro-R1: LLM-Based Agentic Retrosynthesis Wei Liu, Jiangtao Feng, Hongli Yu, Yuxuan Song, Yuqiang Li, Shufei Zhang, Lei Bai, Wei-Ying Ma, Hao Zhou

AISTATS 2025 RetroDiff: Retrosynthesis as Multi-Stage Distribution Interpolation Yiming Wang, Yuxuan Song, Yiqun Wang, Minkai Xu, Rui Wang, Hao Zhou, Wei-Ying Ma

ICLRW 2025 ShortListing Model: A Streamlined Simplex Diffusion for Biological Sequence Generation Yuxuan Song, Zhe Zhang, Yu Pei, Jingjing Gong, Mingxuan Wang, Hao Zhou, Jingjing Liu, Wei-Ying Ma

NeurIPS 2025 ShortListing Model: A Streamlined Simplex Diffusion for Discrete Variable Generation Yuxuan Song, Zhe Zhang, Yu Pei, Jingjing Gong, Qiying Yu, Zheng Zhang, Mingxuan Wang, Hao Zhou, Jingjing Liu, Wei-Ying Ma

ICML 2025 Smooth Interpolation for Improved Discrete Graph Generative Models Yuxuan Song, Juntong Shi, Jingjing Gong, Minkai Xu, Stefano Ermon, Hao Zhou, Wei-Ying Ma

ICLR 2025 Steering Protein Family Design Through Profile Bayesian Flow Jingjing Gong, Yu Pei, Siyu Long, Yuxuan Song, Zhe Zhang, Wenhao Huang, Ziyao Cao, Shuyi Zhang, Hao Zhou, Wei-Ying Ma

ICML 2024 MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space Yanru Qu, Keyue Qiu, Yuxuan Song, Jingjing Gong, Jiawei Han, Mingyue Zheng, Hao Zhou, Wei-Ying Ma

ICLRW 2024 PROflow: An Iterative Refinement Model for PROTAC-Induced Structure Prediction Bo Qiang, Wenxian Shi, Yuxuan Song, Menghua Wu

ICLR 2024 Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks Yuxuan Song, Jingjing Gong, Hao Zhou, Mingyue Zheng, Jingjing Liu, Wei-Ying Ma

ICMLW 2023 Annealed Biological Sequence Optimization Yuxuan Song, Botian Wang, Hao Zhou, Wei-Ying Ma

ICML 2023 Coarse-to-Fine: A Hierarchical Diffusion Model for Molecule Generation in 3D Bo Qiang, Yuxuan Song, Minkai Xu, Jingjing Gong, Bowen Gao, Hao Zhou, Wei-Ying Ma, Yanyan Lan

NeurIPS 2023 Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation Yuxuan Song, Jingjing Gong, Minkai Xu, Ziyao Cao, Yanyan Lan, Stefano Ermon, Hao Zhou, Wei-Ying Ma

ECML-PKDD 2021 Follow Your Path: A Progressive Method for Knowledge Distillation Wenxian Shi, Yuxuan Song, Hao Zhou, Bohan Li, Lei Li

AISTATS 2020 Improving Maximum Likelihood Training for Text Generation with Density Ratio Estimation Yuxuan Song, Ning Miao, Hao Zhou, Lantao Yu, Mingxuan Wang, Lei Li

AAAI 2020 Infomax Neural Joint Source-Channel Coding via Adversarial Bit Flip Yuxuan Song, Minkai Xu, Lantao Yu, Hao Zhou, Shuo Shao, Yong Yu

AAAI 2019 Guiding the One-to-One Mapping in CycleGAN via Optimal Transport Guansong Lu, Zhiming Zhou, Yuxuan Song, Kan Ren, Yong Yu

ICML 2019 Lipschitz Generative Adversarial Nets Zhiming Zhou, Jiadong Liang, Yuxuan Song, Lantao Yu, Hongwei Wang, Weinan Zhang, Yong Yu, Zhihua Zhang

ICLR 2018 Activation Maximization Generative Adversarial Nets Zhiming Zhou, Han Cai, Shu Rong, Yuxuan Song, Kan Ren, Weinan Zhang, Jun Wang, Yong Yu