Guolin Ke - RankMe

79 papers A* 13Journal 59Unranked 7

Year	Rank	Type	Title / Venue / Authors
2026	J	`jnl`	From Human Labels to Literature: Semi-Supervised Learning of NMR Chemical Shifts at Scale. CoRR Yongqi Jin, Yecheng Wang, Junjie Wang, Rong Zhu, Guolin Ke, Weinan E
2026	J	`jnl`	Innovator-VL: A Multimodal Large Language Model for Scientific Discovery. CoRR Zichen Wen, Boxue Yang, Shuang Chen, Yaojie Zhang, Yuhang Han, Junlong Ke, Cong Wang, Yicheng Fu, Jiawang Zhao, Jiangchao Yao, Xi Fang, Zhen Wang, Henxing Cai, Lin Yao, Zhifeng Gao, Yanhui Hong, Nang Yuan, Yixuan Li, Guojiang Zhao, Haoyi Tao, Nan Wang, Han Lyu, Guolin Ke, Ning Liao, Xiaoxing Wang, Kai Chen, Zhiyu Li, Feiyu Xiong, Sihan Hu, Kun Chen, Yanfeng Wang, Weinan E
2026	J	`jnl`	OmniScience: A Large-scale Multi-modal Dataset for Scientific Image Understanding. CoRR Haoyi Tao, Chaozheng Huang, Nan Wang, Han Lyu, Linfeng Zhang, Guolin Ke, Xi Fang
2026	J	`jnl`	Toward Generalizable Data-Driven Pharmacokinetics with Interpretable Neural ODEs. J. Chem. Inf. Model. Yaning Cui, Xiaohong Ji, Wentao Guo, Shangqian Chen, Tao Shen, Liye Chen, Guolin Ke, Chuanfei Jin, Zhifeng Gao, Weijie Sun
2025	A*	`conf`	Beyond Atoms: Enhancing Molecular Pretrained Representations with 3D Space Modeling. ICML Shuqi Lu, Xiaohong Ji, Bohang Zhang, Lin Yao, Siyuan Liu, Zhifeng Gao, Linfeng Zhang, Guolin Ke
2025	J	`jnl`	Beyond Atoms: Enhancing Molecular Pretrained Representations with 3D Space Modeling. CoRR Shuqi Lu, Xiaohong Ji, Bohang Zhang, Lin Yao, Siyuan Liu, Zhifeng Gao, Linfeng Zhang, Guolin Ke
2025	J	`jnl`	Bohrium + SciMaster: Building the Infrastructure and Ecosystem for Agentic Science at Scale. CoRR Linfeng Zhang, Siheng Chen, Yuzhu Cai, Jingyi Chai, Junhan Chang, Kun Chen, Zhi X. Chen, Zhaohan Ding, Yuwen Du, Yuanpeng Gao, Yuan Gao, Jing Gao, Zhifeng Gao, Qiangqiang Gu, Yanhui Hong, Yuan Huang, Xi Fang, Xiaohong Ji, Guolin Ke, Zixing Lei, Xinyu Li, Yongge Li, Ruoxue Liao, Hang Lin, Xiaolu Lin, Yuxiang Liu, Xinzijian Liu, Zexi Liu, Jintan Lu, Tingjia Miao, Haohui Que, Weijie Sun, Yanfeng Wang, Bingyang Wu, Tianju Xue, Rui Ye, Jinzhe Zeng, Duo Zhang, Jiahui Zhang, Tianhan Zhang, Wenchang Zhang, Yuzhi Zhang, Zezhong Zhang, Hang Zheng, Hui Zhou, Tong Zhu, Xinyu Zhu, Qingguo Zhou, Weinan E
2025	J	`jnl`	Fused Gromov-Wasserstein Contrastive Learning for Effective Enzyme-Reaction Screening. CoRR Gengmo Zhou, Feng Yu, Wenda Wang, Zhifeng Gao, Guolin Ke, Zhewei Wei, Zhen Wang
2025	J	`jnl`	Hyperspherical Latents Improve Continuous-Token Autoregressive Generation. CoRR Guolin Ke, Hui Xue
2025	J	`jnl`	MachineLearningLM: Scaling Many-shot In-context Learning via Continued Pretraining. CoRR Haoyu Dong, Pengkun Zhang, Mingzhe Lu, Yanzhen Shen, Guolin Ke
2025	J	`jnl`	Masked-and-Reordered Self-Supervision for Reinforcement Learning from Verifiable Rewards. CoRR Zhen Wang, Zhifeng Gao, Guolin Ke
2025	J	`jnl`	MolReasoner: Toward Effective and Interpretable Reasoning for Molecular LLMs. CoRR Guojiang Zhao, Sihang Li, Zixiang Lu, Zheng Cheng, Haitao Lin, Lirong Wu, Hanchen Xia, Hengxing Cai, Wentao Guo, Hongshuai Wang, Mingjun Xu, Siyu Zhu, Guolin Ke, Linfeng Zhang, Zhifeng Gao
2025	J	`jnl`	NMR-Solver: Automated Structure Elucidation via Large-Scale Spectral Matching and Physics-Guided Fragment Optimization. CoRR Yong-Jin Liu, Junjie Wang, Fanjie Xu, Xiaohong Ji, Zhifeng Gao, Linfeng Zhang, Guolin Ke, Rong Zhu, Weinan E
2025	J	`jnl`	On the Design of One-step Diffusion via Shortcutting Flow Paths. CoRR Haitao Lin, Peiyan Hu, Minsi Ren, Zhifeng Gao, Zhi-Ming Ma, Guolin Ke, Tailin Wu, Stan Z. Li
2025	J	`jnl`	Reasoning-Enhanced Large Language Models for Molecular Property Prediction. CoRR Jiaxi Zhuang, Yaorui Shi, Jue Hou, Yunong He, Mingwei Ye, Mingjun Xu, Yuming Su, Linfeng Zhang, Ying Qian, Linfeng Zhang, Guolin Ke, Hengxing Cai
2025	J	`jnl`	RxnBench: A Multimodal Benchmark for Evaluating Large Language Models on Chemical Reaction Understanding from Scientific Literature. CoRR Hanzheng Li, Xi Fang, Yixuan Li, Chaozheng Huang, Junjie Wang, Xi Wang, Hongzhe Bai, Bojun Hao, Shenyu Lin, Huiqi Liang, Linfeng Zhang, Guolin Ke
2025	—	`conf`	SciAssess: Benchmarking LLM Proficiency in Scientific Literature Analysis. NAACL (Findings) Hengxing Cai, Xiaochen Cai, Junhan Chang, Sihang Li, Lin Yao, Changxin Wang, Zhifeng Gao, Hongshuai Wang, Yongge Li, Mujie Lin, Shuwen Yang, Jiankun Wang, Mingjun Xu, Jin Huang, Xi Fang, Jiaxi Zhuang, Yuqi Yin, Yaqi Li, Changhong Chen, Zheng Cheng, Zifeng Zhao, Linfeng Zhang, Guolin Ke
2025	A*	`conf`	SciLitLLM: How to Adapt LLMs for Scientific Literature Understanding. ICLR Sihang Li, Jin Huang, Jiaxi Zhuang, Yaorui Shi, Xiaochen Cai, Mingjun Xu, Xiang Wang, Linfeng Zhang, Guolin Ke, Hengxing Cai
2025	J	`jnl`	SynBridge: Bridging Reaction States via Discrete Flow for Bidirectional Reaction Prediction. CoRR Haitao Lin, Junjie Wang, Zhifeng Gao, Xiaohong Ji, Rong Zhu, Linfeng Zhang, Guolin Ke, Weinan E
2025	J	`jnl`	Uni-3DAR: Unified 3D Generation and Understanding via Autoregression on Compressed Spatial Tokens. CoRR Shuqi Lu, Haowei Lin, Lin Yao, Zhifeng Gao, Xiaohong Ji, Weinan E, Linfeng Zhang, Guolin Ke
2025	J	`jnl`	Uni-AIMS: AI-Powered Microscopy Image Analysis. CoRR Yanhui Hong, Nan Wang, Zhiyi Xia, Haoyi Tao, Xi Fang, Yiming Li, Jiankun Wang, Peng Jin, Xiaochen Cai, Shengyu Li, Ziqi Chen, Zezhong Zhang, Guolin Ke, Linfeng Zhang
2025	—	`conf`	Uni-Mol Docking V2: Towards Realistic and Accurate Binding Pose Prediction. ICANN (5) Eric Alcaide, Zhifeng Gao, Guolin Ke, Yaqi Li, Linfeng Zhang, Hang Zheng, Gengmo Zhou
2025	J	`jnl`	Uni-Parser Technical Report. CoRR Xi Fang, Haoyi Tao, Shuwen Yang, Suyang Zhong, Haocheng Lu, Han Lyu, Chaozheng Huang, Xinyu Li, Linfeng Zhang, Guolin Ke
2025	J	`jnl`	UniEM-3M: A Universal Electron Micrograph Dataset for Microstructural Segmentation and Generation. CoRR Nan Wang, Zhiyi Xia, Yiming Li, Shi Tang, Zuxin Fan, Xi Fang, Haoyi Tao, Xiaochen Cai, Guolin Ke, Linfeng Zhang, Yanhui Hong
2024	J	`jnl`	3D Molecular Generation via Virtual Dynamics. Trans. Mach. Learn. Res. Shuqi Lu, Lin Yao, Xi Chen, Hang Zheng, Di He, Guolin Ke
2024	J	`jnl`	A high-accuracy multi-model mixing retrosynthetic method. CoRR Shang Xiang, Lin Yao, Zhen Wang, Qifan Yu, Wentan Liu, Wentao Guo, Guolin Ke
2024	J	`jnl`	Accurate Conformation Sampling via Protein Structural Diffusion. J. Chem. Inf. Model. Jiahao Fan, Ziyao Li, Eric Alcaide, Guolin Ke, Huaqing Huang, Weinan E
2024	J	`jnl`	End-to-End Crystal Structure Prediction from Powder X-Ray Diffraction. CoRR Qingsi Lai, Lin Yao, Zhifeng Gao, Siyuan Liu, Hongshuai Wang, Shuqi Lu, Di He, Liwei Wang, Cheng Wang, Guolin Ke
2024	A*	`conf`	Exploring Molecular Pretraining Model at Scale. NeurIPS Xiaohong Ji, Zhen Wang, Zhifeng Gao, Hang Zheng, Linfeng Zhang, Guolin Ke, Weinan E
2024	J	`jnl`	Intelligent System for Automated Molecular Patent Infringement Assessment. CoRR Yaorui Shi, Sihang Li, Taiyan Zhang, Xi Fang, Jiankun Wang, Zhiyuan Liu, Guojiang Zhao, Zhengdan Zhu, Zhifeng Gao, Renxin Zhong, Linfeng Zhang, Guolin Ke, Weinan E, Hengxing Cai, Xiang Wang
2024	J	`jnl`	MolParser: End-to-end Visual Recognition of Molecule Structures in the Wild. CoRR Xi Fang, Jiankun Wang, Xiaochen Cai, Shangqian Chen, Shuwen Yang, Lin Yao, Linfeng Zhang, Guolin Ke
2024	A*	`conf`	S-MolSearch: 3D Semi-supervised Contrastive Learning for Bioactive Molecule Search. NeurIPS Gengmo Zhou, Zhen Wang, Feng Yu, Guolin Ke, Zhewei Wei, Zhifeng Gao
2024	J	`jnl`	S-MolSearch: 3D Semi-supervised Contrastive Learning for Bioactive Molecule Search. CoRR Gengmo Zhou, Zhen Wang, Feng Yu, Guolin Ke, Zhewei Wei, Zhifeng Gao
2024	J	`jnl`	SciAssess: Benchmarking LLM Proficiency in Scientific Literature Analysis. CoRR Hengxing Cai, Xiaochen Cai, Junhan Chang, Sihang Li, Lin Yao, Changxin Wang, Zhifeng Gao, Hongshuai Wang, Yongge Li, Mujie Lin, Shuwen Yang, Jiankun Wang, Yuqi Yin, Yaqi Li, Linfeng Zhang, Guolin Ke
2024	J	`jnl`	SciLitLLM: How to Adapt LLMs for Scientific Literature Understanding. CoRR Sihang Li, Jin Huang, Jiaxi Zhuang, Yaorui Shi, Xiaochen Cai, Mingjun Xu, Xiang Wang, Linfeng Zhang, Guolin Ke, Hengxing Cai
2024	J	`jnl`	Uni-Mol Docking V2: Towards Realistic and Accurate Binding Pose Prediction. CoRR Eric Alcaide, Zhifeng Gao, Guolin Ke, Yaqi Li, Linfeng Zhang, Hang Zheng, Gengmo Zhou
2024	J	`jnl`	Uni-Mol2: Exploring Molecular Pretraining Model at Scale. CoRR Xiaohong Ji, Zhen Wang, Zhifeng Gao, Hang Zheng, Linfeng Zhang, Guolin Ke, Weinan E
2024	J	`jnl`	Uni-SMART: Universal Science Multimodal Analysis and Research Transformer. CoRR Hengxing Cai, Xiaochen Cai, Shuwen Yang, Jiankun Wang, Lin Yao, Zhifeng Gao, Junhan Chang, Sihang Li, Mingjun Xu, Changxin Wang, Hongshuai Wang, Yongge Li, Mujie Lin, Yaqi Li, Yuqi Yin, Linfeng Zhang, Guolin Ke
2023	J	`jnl`	3D Molecular Generation via Virtual Dynamics. CoRR Shuqi Lu, Lin Yao, Xi Chen, Hang Zheng, Di He, Guolin Ke
2023	J	`jnl`	Boosted ab initio Cryo-EM 3D Reconstruction with ACE-EM. CoRR Lin Yao, Ruihan Xu, Zhifeng Gao, Guolin Ke, Yuhang Wang
2023	J	`jnl`	Do Deep Learning Methods Really Perform Better in Molecular Conformation Generation? CoRR Gengmo Zhou, Zhifeng Gao, Zhewei Wei, Hang Zheng, Guolin Ke
2023	J	`jnl`	Do Deep Learning Models Really Outperform Traditional Approaches in Molecular Docking? CoRR Yuejiang Yu, Shuqi Lu, Zhifeng Gao, Hang Zheng, Guolin Ke
2023	J	`jnl`	Highly Accurate Quantum Chemical Property Prediction with Uni-Mol+. CoRR Shuqi Lu, Zhifeng Gao, Di He, Linfeng Zhang, Guolin Ke
2023	J	`jnl`	Node-Aligned Graph-to-Graph Generation for Retrosynthesis Prediction. CoRR Lin Yao, Zhen Wang, Wentao Guo, Shang Xiang, Wentan Liu, Guolin Ke
2023	A*	`conf`	Uni-Mol: A Universal 3D Molecular Representation Learning Framework. ICLR Gengmo Zhou, Zhifeng Gao, Qiankun Ding, Hang Zheng, Hongteng Xu, Zhewei Wei, Linfeng Zhang, Guolin Ke
2023	J	`jnl`	Uni-QSAR: an Auto-ML Tool for Molecular Property Prediction. CoRR Zhifeng Gao, Xiaohong Ji, Guojiang Zhao, Hongshuai Wang, Hang Zheng, Guolin Ke, Linfeng Zhang
2022	J	`jnl`	Benchmarking Graphormer on Large-Scale Molecular Modeling Datasets. CoRR Yu Shi, Shuxin Zheng, Guolin Ke, Yifei Shen, Jiacheng You, Jiyan He, Shengjie Luo, Chang Liu, Di He, Tie-Yan Liu
2022	J	`jnl`	METRO: Efficient Denoising Pretraining of Large Scale Autoencoding Language Models with Model Generated Signals. CoRR Payal Bajaj, Chenyan Xiong, Guolin Ke, Xiaodong Liu, Di He, Saurabh Tiwary, Tie-Yan Liu, Paul Bennett, Xia Song, Jianfeng Gao
2022	A*	`conf`	Quantized Training of Gradient Boosting Decision Trees. NeurIPS Yu Shi, Guolin Ke, Zhuoming Chen, Shuxin Zheng, Tie-Yan Liu
2022	J	`jnl`	Quantized Training of Gradient Boosting Decision Trees. CoRR Yu Shi, Guolin Ke, Zhuoming Chen, Shuxin Zheng, Tie-Yan Liu
2021	J	`jnl`	Deep Subdomain Adaptation Network for Image Classification. CoRR Yongchun Zhu, Fuzhen Zhuang, Jindong Wang, Guolin Ke, Jingwu Chen, Jiang Bian, Hui Xiong, Qing He
2021	J	`jnl`	Deep Subdomain Adaptation Network for Image Classification. IEEE Trans. Neural Networks Learn. Syst. Yongchun Zhu, Fuzhen Zhuang, Jindong Wang, Guolin Ke, Jingwu Chen, Jiang Bian, Hui Xiong, Qing He
2021	J	`jnl`	Do Transformers Really Perform Bad for Graph Representation? CoRR Chengxuan Ying, Tianle Cai, Shengjie Luo, Shuxin Zheng, Guolin Ke, Di He, Yanming Shen, Tie-Yan Liu
2021	A*	`conf`	Do Transformers Really Perform Badly for Graph Representation? NeurIPS Chengxuan Ying, Tianle Cai, Shengjie Luo, Shuxin Zheng, Guolin Ke, Di He, Yanming Shen, Tie-Yan Liu
2021	J	`jnl`	First Place Solution of KDD Cup 2021 & OGB Large-Scale Challenge Graph Prediction Track. CoRR Chengxuan Ying, Mingqi Yang, Shuxin Zheng, Guolin Ke, Shengjie Luo, Tianle Cai, Chenglin Wu, Yuxin Wang, Yanming Shen, Di He
2021	A*	`conf`	How could Neural Networks understand Programs? ICML Dinglan Peng, Shuxin Zheng, Yatao Li, Guolin Ke, Di He, Tie-Yan Liu
2021	J	`jnl`	How could Neural Networks understand Programs? CoRR Dinglan Peng, Shuxin Zheng, Yatao Li, Guolin Ke, Di He, Tie-Yan Liu
2021	J	`jnl`	LazyFormer: Self Attention with Lazy Update. CoRR Chengxuan Ying, Guolin Ke, Di He, Tie-Yan Liu
2021	J	`jnl`	Less is More: Pre-training a Strong Siamese Encoder Using a Weak Decoder. CoRR Shuqi Lu, Chenyan Xiong, Di He, Guolin Ke, Waleed Malik, Zhicheng Dou, Paul Bennett, Tie-Yan Liu, Arnold Overwijk
2021	—	`conf`	Less is More: Pretrain a Strong Siamese Encoder for Dense Text Retrieval Using a Weak Decoder. EMNLP (1) Shuqi Lu, Di He, Chenyan Xiong, Guolin Ke, Waleed Malik, Zhicheng Dou, Paul Bennett, Tie-Yan Liu, Arnold Overwijk
2021	A*	`conf`	Rethinking Positional Encoding in Language Pre-training. ICLR Guolin Ke, Di He, Tie-Yan Liu
2021	J	`jnl`	Revisiting Language Encoding in Learning Multilingual Representations. CoRR Shengjie Luo, Kaiyuan Gao, Shuxin Zheng, Guolin Ke, Di He, Liwei Wang, Tie-Yan Liu
2021	A*	`conf`	Stable, Fast and Accurate: Kernelized Attention with Relative Positional Encoding. NeurIPS Shengjie Luo, Shanda Li, Tianle Cai, Di He, Dinglan Peng, Shuxin Zheng, Guolin Ke, Liwei Wang, Tie-Yan Liu
2021	J	`jnl`	Stable, Fast and Accurate: Kernelized Attention with Relative Positional Encoding. CoRR Shengjie Luo, Shanda Li, Tianle Cai, Di He, Dinglan Peng, Shuxin Zheng, Guolin Ke, Liwei Wang, Tie-Yan Liu
2021	A*	`conf`	Taking Notes on the Fly Helps Language Pre-Training. ICLR Qiyu Wu, Chen Xing, Yatao Li, Guolin Ke, Di He, Tie-Yan Liu
2021	—	`conf`	The Open Catalyst Challenge 2021: Competition Report. NeurIPS (Competition and Demos) Abhishek Das, Muhammed Shuaibi, Aini Palizhati, Siddharth Goyal, Aditya Grover, Adeesh Kolluru, Janice Lan, Ammar Rizvi, Anuroop Sriram, Brandon M. Wood, Devi Parikh, Zachary W. Ulissi, C. Lawrence Zitnick, Guolin Ke, Shuxin Zheng, Yu Shi, Di He, Tie-Yan Liu, Chengxuan Ying, Jiacheng You, Yihan He, Rostislav Grigoriev, Ruslan Lukin, Adel Yarullin, Max Faleev
2021	J	`jnl`	Transformers with Competitive Ensembles of Independent Mechanisms. CoRR Alex Lamb, Di He, Anirudh Goyal, Guolin Ke, Chien-Feng Liao, Mirco Ravanelli, Yoshua Bengio
2020	—	`conf`	Invertible Image Rescaling. ECCV (1) Mingqing Xiao, Shuxin Zheng, Chang Liu, Yaolong Wang, Di He, Guolin Ke, Jiang Bian, Zhouchen Lin, Tie-Yan Liu
2020	J	`jnl`	Invertible Image Rescaling. CoRR Mingqing Xiao, Shuxin Zheng, Chang Liu, Yaolong Wang, Di He, Guolin Ke, Jiang Bian, Zhouchen Lin, Tie-Yan Liu
2020	A*	`conf`	Light Multi-Segment Activation for Model Compression. AAAI Zhenhui Xu, Guolin Ke, Jia Zhang, Jiang Bian, Tie-Yan Liu
2020	J	`jnl`	MC-BERT: Efficient Language Pre-Training via a Meta Controller. CoRR Zhenhui Xu, Linyuan Gong, Guolin Ke, Di He, Shuxin Zheng, Liwei Wang, Jiang Bian, Tie-Yan Liu
2020	J	`jnl`	Rethinking Positional Encoding in Language Pre-training. CoRR Guolin Ke, Di He, Tie-Yan Liu
2020	J	`jnl`	Taking Notes on the Fly Helps BERT Pre-training. CoRR Qiyu Wu, Chen Xing, Yatao Li, Guolin Ke, Di He, Tie-Yan Liu
2019	A*	`conf`	DeepGBM: A Deep Learning Framework Distilled by GBDT for Online Prediction Tasks. KDD Guolin Ke, Zhenhui Xu, Jia Zhang, Jiang Bian, Tie-Yan Liu
2019	J	`jnl`	Light Multi-segment Activation for Model Compression. CoRR Zhenhui Xu, Guolin Ke, Jia Zhang, Jiang Bian, Tie-Yan Liu
2019	J	`jnl`	LightMC: A Dynamic and Efficient Multiclass Decomposition Algorithm. CoRR Ziyu Liu, Guolin Ke, Jiang Bian, Tie-Yan Liu
2017	—	`conf`	LightGBM: A Highly Efficient Gradient Boosting Decision Tree. NIPS Guolin Ke, Qi Meng, Thomas Finley, Taifeng Wang, Wei Chen, Weidong Ma, Qiwei Ye, Tie-Yan Liu
2016	—	`conf`	A Communication-Efficient Parallel Algorithm for Decision Tree. NIPS Qi Meng, Guolin Ke, Taifeng Wang, Wei Chen, Qiwei Ye, Zhiming Ma, Tie-Yan Liu
2016	J	`jnl`	A Communication-Efficient Parallel Algorithm for Decision Tree. CoRR Qi Meng, Guolin Ke, Taifeng Wang, Wei Chen, Qiwei Ye, Zhiming Ma, Tie-Yan Liu