WaBERT: A Low-resource End-to-end Model for Spoken Language Understanding and Speech-to-BERT Alignment. - Lin Yao 003; Jianfei Song; Ruizhuo Xu; Yingfang Yang; Zijian Chen 002; Yafeng Deng (CoRR, 2022)

Zero and R2D2: A Large-scale Chinese Cross-modal Benchmark and A Vision-Language Framework. - Chunyu Xie; Heng Cai; Jianfei Song; Jincheng Li 002; Fanjing Kong; Xiaoyu Wu; Henrique Morimitsu; Lin Yao 003; Dexin Wang; Dawei Leng; Xiangyang Ji; Yafeng Deng (CoRR, 2022)

CCMB: A Large-scale Chinese Cross-modal Benchmark. - Chunyu Xie; Heng Cai; Jincheng Li 002; Fanjing Kong; Xiaoyu Wu; Jianfei Song; Henrique Morimitsu; Lin Yao 003; Dexin Wang; Xiangzheng Zhang; Dawei Leng; Baochang Zhang 001; et al. (ACM Multimedia, 2023)

Boosted ab initio Cryo-EM 3D Reconstruction with ACE-EM. - Lin Yao 003; Ruihan Xu 002; Zhifeng Gao; Guolin Ke; Yuhang Wang (CoRR, 2023)

ACE-HetEM for ab initio Heterogenous Cryo-EM 3D Reconstruction. - Weijie Chen; Lin Yao 003; Zeqing Xia; Yuhang Wang (CoRR, 2023)

Node-Aligned Graph-to-Graph Generation for Retrosynthesis Prediction. - Lin Yao 003; Zhen Wang; Wentao Guo; Shang Xiang; Wentan Liu; Guolin Ke (CoRR, 2023)

End-to-End Crystal Structure Prediction from Powder X-Ray Diffraction. - Qingsi Lai; Lin Yao 003; Zhifeng Gao; Siyuan Liu; Hongshuai Wang; Shuqi Lu; Di He 001; Liwei Wang 001; Cheng Wang; Guolin Ke (CoRR, 2024)

SciAssess: Benchmarking LLM Proficiency in Scientific Literature Analysis. - Hengxing Cai; Xiaochen Cai; Junhan Chang; Sihang Li 002; Lin Yao 003; Changxin Wang; Zhifeng Gao; Hongshuai Wang; Yongge Li; Mujie Lin; Shuwen Yang; Jiankun Wang 011; et al. (CoRR, 2024)

Uni-SMART: Universal Science Multimodal Analysis and Research Transformer. - Hengxing Cai; Xiaochen Cai; Shuwen Yang; Jiankun Wang 011; Lin Yao 003; Zhifeng Gao; Junhan Chang; Sihang Li 002; Mingjun Xu; Changxin Wang; Hongshuai Wang; Yongge Li; et al. (CoRR, 2024)

A high-accuracy multi-model mixing retrosynthetic method. - Shang Xiang; Lin Yao 003; Zhen Wang; Qifan Yu; Wentan Liu; Wentao Guo; Guolin Ke (CoRR, 2024)

MolParser: End-to-end Visual Recognition of Molecule Structures in the Wild. - Xi Fang; Jiankun Wang 011; Xiaochen Cai; Shangqian Chen; Shuwen Yang; Lin Yao 003; Linfeng Zhang 002; Guolin Ke (CoRR, 2024)

3D Molecular Generation via Virtual Dynamics. - Shuqi Lu; Lin Yao 003; Xi Chen; Hang Zheng; Di He 001; Guolin Ke (Trans. Mach. Learn. Res., 2024)

SciAssess: Benchmarking LLM Proficiency in Scientific Literature Analysis. - Hengxing Cai; Xiaochen Cai; Junhan Chang; Sihang Li 002; Lin Yao 003; Changxin Wang; Zhifeng Gao; Hongshuai Wang; Yongge Li; Mujie Lin; Shuwen Yang; Jiankun Wang 011; et al. (NAACL (Findings), 2025)

Beyond Atoms: Enhancing Molecular Pretrained Representations with 3D Space Modeling. - Shuqi Lu; Xiaohong Ji; Bohang Zhang; Lin Yao 003; Siyuan Liu; Zhifeng Gao; Linfeng Zhang 002; Guolin Ke (CoRR, 2025)

Uni-3DAR: Unified 3D Generation and Understanding via Autoregression on Compressed Spatial Tokens. - Shuqi Lu; Haowei Lin; Lin Yao 003; Zhifeng Gao; Xiaohong Ji; Weinan E; Linfeng Zhang 002; Guolin Ke (CoRR, 2025)

Toward a unified benchmark and framework for deep learning-based prediction of nuclear magnetic resonance chemical shifts. - Fanjie Xu; Wentao Guo; Feng Wang; Lin Yao 003; Hongshuai Wang; Fujie Tang; Zhifeng Gao; Linfeng Zhang 002; Weinan E; Zhong-Qun Tian; Jun Cheng (Nat. Comput. Sci., 2025)