Linfeng Zhang - RankMe

68 papers A* 6A 1B 1Journal 58Unranked 2

Year	Rank	Type	Title / Venue / Authors
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`	Scaling Machine Learning Interatomic Potentials with Mixtures of Experts. CoRR Yuzhi Liu, Duo Zhang, Anyang Peng, Weinan E, Linfeng Zhang, Han Wang
2026	J	`jnl`	SpecXMaster Technical Report. CoRR Yutang Ge, Yaning Cui, Hanzheng Li, Jun-Jie Wang, Fanjie Xu, Jinhan Dong, Yong-Jin Liu, Dongxu Cui, Peng Jin, Guojiang Zhao, Hengxing Cai, Rong Zhu, Linfeng Zhang, Xiaohong Ji, Zhifeng Gao
2026	J	`jnl`	Toward Ultra-Long-Horizon Agentic Science: Cognitive Accumulation for Machine Learning Engineering. CoRR Xinyu Zhu, Yuzhu Cai, Zexi Liu, Bingyang Zheng, Cheng Wang, Rui Ye, Jiaao Chen, Hanrui Wang, Wei-Chen Wang, Yuzhi Zhang, Linfeng Zhang, Weinan E, Di Jin, Siheng Chen, Yanfeng Wang
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`	DPDispatcher: Scalable HPC Task Scheduling for AI-Driven Science. J. Chem. Inf. Model. Fengbo Yuan, Zhaohan Ding, Yun-Pei Liu, Kai Cao, Jiahao Fan, Cao Thang Nguyen, Yuzhi Zhang, Haidi Wang, Yixiao Chen, Jiameng Huang, Tongqi Wen, Mingkang Liu, Yifan Li, Yong-Bin Zhuang, Hao Yu, Ping Tuo, Yaotang Zhang, Yibo Wang, Linfeng Zhang, Han Wang, Jinzhe Zeng
2025	J	`jnl`	Inverse Knowledge Search over Verifiable Reasoning: Synthesizing a Scientific Encyclopedia from a Long Chains-of-Thought Knowledge Base. CoRR Yu Li, Yuan Huang, Tao Wang, Caiyu Fan, Xiansheng Cai, Sihan Hu, Xinzijian Liu, Cheng Shi, Mingjun Xu, Zhen Wang, Yan Wang, Xiangqi Jin, Tianhan Zhang, Linfeng Zhang, Lei Wang, Youjin Deng, Pan Zhang, Weijie Sun, Xingyu Li, Weinan E, Zhiyuan Yao, Kun Chen
2025	A*	`conf`	Learning local equivariant representations for quantum operators. ICLR Zhanghao Zhouyin, Zixi Gan, Shishir Kumar Pandey, Linfeng Zhang, Qiangqiang Gu
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`	PhysMaster: Building an Autonomous AI Physicist for Theoretical and Computational Physics Research. CoRR Tingjia Miao, Jiawen Dai, Jingkun Liu, Jinxin Tan, Muhua Zhang, Wenkai Jin, Yuwen Du, Tian Jin, Xianghe Pang, Zexi Liu, Tu Guo, Zhengliang Zhang, Yunjie Huang, Shuo Chen, Rui Ye, Yuzhi Zhang, Linfeng Zhang, Kun Chen, Wei Wang, Weinan E, Siheng Chen
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	—	`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`	SciMaster: Towards General-Purpose Scientific AI Agents, Part I. X-Master as Foundation: Can We Lead on Humanity's Last Exam? CoRR Jingyi Chai, Shuo Tang, Rui Ye, Yuwen Du, Xinyu Zhu, Mengcheng Zhou, Yanfeng Wang, Weinan E, Yuzhi Zhang, Linfeng Zhang, Siheng Chen
2025	J	`jnl`	Strategic priorities for transformative progress in advancing biology with proteomics and artificial intelligence. CoRR Yingying Sun, Jun A, Zhiwei Liu, Rui Sun, Liujia Qian, Samuel H. Payne, Wout Bittremieux, Markus Ralser, Chen Li, Yi Chen, Zhen Dong, Yasset Pérez-Riverol, Asif Khan, Chris Sander, Ruedi Aebersold, Juan Antonio Vizcaíno, Jonathan R. Krieger, Jianhua Yao, Han Wen, Linfeng Zhang, Yunping Zhu, Yue Xuan, Benjamin Boyang Sun, Liang Qiao, Henning Hermjakob, Haixu Tang, Huanhuan Gao, Yamin Deng, Qing Zhong, Cheng Chang, Nuno Bandeira, Ming Li, Weinan E, Siqi Sun, Yuedong Yang, Gilbert S. Omenn, Yue Zhang, Ping Xu, Yan Fu, Xiaowen Liu, Christopher M. Overall, Yu Wang, Eric W. Deutsch, Luonan Chen, Jürgen Cox, Vadim Demichev, Fuchu He, Jiaxing Huang, Huilin Jin, Chao Liu, Nan Li, Zhongzhi Luan, Jiangning Song, Kaicheng Yu, Wanggen Wan, Tai Wang, Kang Zhang, Le Zhang, Peter A. Bell, Matthias Mann, Bing Zhang, Tiannan Guo
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`	The OpenLAM Challenges. CoRR Anyang Peng, Xinzijian Liu, Ming-Yu Guo, Linfeng Zhang, Han Wang
2025	J	`jnl`	The OpenLAM Challenges: LAM Crystal Philately competition. Mach. Learn. Sci. Technol. Anyang Peng, Xinzijian Liu, Ming-Yu Guo, Linfeng Zhang, Han Wang
2025	J	`jnl`	Toward a unified benchmark and framework for deep learning-based prediction of nuclear magnetic resonance chemical shifts. Nat. Comput. Sci. Fanjie Xu, Wentao Guo, Feng Wang, Lin Yao, Hongshuai Wang, Fujie Tang, Zhifeng Gao, Linfeng Zhang, Weinan E, Zhong-Qun Tian, Jun Cheng
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`	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
2025	J	`jnl`	dVLA: Diffusion Vision-Language-Action Model with Multimodal Chain-of-Thought. CoRR Junjie Wen, Minjie Zhu, Jiaming Liu, Zhiyuan Liu, Yicun Yang, Linfeng Zhang, Shanghang Zhang, Yichen Zhu, Yi Xu
2025	J	`jnl`	dpdata: A Scalable Python Toolkit for Atomistic Machine Learning Data Sets. J. Chem. Inf. Model. Jinzhe Zeng, Xingliang Peng, Yong-Bin Zhuang, Haidi Wang, Fengbo Yuan, Duo Zhang, Renxi Liu, Yingze Wang, Ping Tuo, Yuzhi Zhang, Yixiao Chen, Yifan Li, Cao Thang Nguyen, Jiameng Huang, Anyang Peng, Marián Rynik, Wei-Hong Xu, Zezhong Zhang, Xu-Yuan Zhou, Tao Chen, Jiahao Fan, Wanrun Jiang, Bowen Li, Denan Li, Haoxi Li, Wenshuo Liang, Ruihao Liao, Liping Liu, Chenxing Luo, Logan Ward, Kaiwei Wan, Junjie Wang, Pan Xiang, Chengqian Zhang, Jinchao Zhang, Rui Zhou, Jia-Xin Zhu, Linfeng Zhang, Han Wang
2024	J	`jnl`	Deep Learning Accelerated Quantum Transport Simulations in Nanoelectronics: From Break Junctions to Field-Effect Transistors. CoRR Jijie Zou, Zhanghao Zhouyin, Dongying Lin, Linfeng Zhang, Shimin Hou, Qiangqiang Gu
2024	J	`jnl`	Dflow, a Python framework for constructing cloud-native AI-for-Science workflows. CoRR Xinzijian Liu, Yanbo Han, Zhuoyuan Li, Jiahao Fan, Chengqian Zhang, Jinzhe Zeng, Yifan Shan, Yannan Yuan, Wei-Hong Xu, Yun-Pei Liu, Yuzhi Zhang, Tongqi Wen, Darrin M. York, Zhicheng Zhong, Hang Zheng, Jun Cheng, Linfeng Zhang, Han Wang
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`	Learning local equivariant representations for quantum operators. CoRR Zhanghao Zhouyin, Zixi Gan, Shishir Kumar Pandey, Linfeng Zhang, Qiangqiang Gu
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	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-ELF: A Multi-Level Representation Learning Framework for Electrolyte Formulation Design. CoRR Boshen Zeng, Sian Chen, Xinxin Liu, Changhong Chen, Bin Deng, Xiaoxu Wang, Zhifeng Gao, Yuzhi Zhang, Weinan E, Linfeng Zhang
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`	DeePKS-kit: A package for developing machine learning-based chemically accurate energy and density functional models. Comput. Phys. Commun. Yixiao Chen, Linfeng Zhang, Han Wang, Weinan E
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`	Scientific discovery in the age of artificial intelligence. Nat. Hanchen Wang, Tianfan Fu, Yuanqi Du, Wenhao Gao, Kexin Huang, Ziming Liu, Payal Chandak, Shengchao Liu, Peter Van Katwyk, Andreea Deac, Anima Anandkumar, Karianne Bergen, Carla P. Gomes, Shirley Ho, Pushmeet Kohli, Joan Lasenby, Jure Leskovec, Tie-Yan Liu, Arjun K. Manrai, Debora S. Marks, Bharath Ramsundar, Le Song, Jimeng Sun, Jian Tang, Petar Velickovic, Max Welling, Linfeng Zhang, Connor W. Coley, Yoshua Bengio, Marinka Zitnik
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`	A deep variational free energy approach to dense hydrogen. CoRR Hao Xie, Zi-Hang Li, Han Wang, Linfeng Zhang, Lei Wang
2022	J	`jnl`	DPA-1: Pretraining of Attention-based Deep Potential Model for Molecular Simulation. CoRR Duo Zhang, Hangrui Bi, Fu-Zhi Dai, Wanrun Jiang, Linfeng Zhang, Han Wang
2022	J	`jnl`	DeePKS+ABACUS as a Bridge between Expensive Quantum Mechanical Models and Machine Learning Potentials. CoRR Wenfei Li, Qi Ou, Yixiao Chen, Yu Cao, Renxi Liu, Chunyi Zhang, Daye Zheng, Chun Cai, Xifan Wu, Han Wang, Mohan Chen, Linfeng Zhang
2022	J	`jnl`	Efficient sampling of high-dimensional free energy landscapes using adaptive reinforced dynamics. Nat. Comput. Sci. Dongdong Wang, Yanze Wang, Junhan Chang, Linfeng Zhang, Han Wang, Weinan E
2022	B	`conf`	Extending the limit of molecular dynamics with PPoPP Zhuoqiang Guo, Denghui Lu, Yujin Yan, Siyu Hu, Rongrong Liu, Guangming Tan, Ninghui Sun, Wanrun Jiang, Lijun Liu, Yixiao Chen, Linfeng Zhang, Mohan Chen, Han Wang, Weile Jia
2022	J	`jnl`	Extending the limit of molecular dynamics with ab initio accuracy to 10 billion atoms. CoRR Zhuoqiang Guo, Denghui Lu, Yujin Yan, Siyu Hu, Rongrong Liu, Guangming Tan, Ninghui Sun, Wanrun Jiang, Lijun Liu, Yixiao Chen, Linfeng Zhang, Mohan Chen, Han Wang, Weile Jia
2021	J	`jnl`	86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with Comput. Phys. Commun. Denghui Lu, Han Wang, Mohan Chen, Lin Lin, Roberto Car, Weinan E, Weile Jia, Linfeng Zhang
2021	J	`jnl`	Deep Density: Circumventing the Kohn-Sham equations via symmetry preserving neural networks. J. Comput. Phys. Leonardo Zepeda-Núñez, Yixiao Chen, Jiefu Zhang, Weile Jia, Linfeng Zhang, Lin Lin
2020	J	`jnl`	86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy. CoRR Denghui Lu, Han Wang, Mohan Chen, Jiduan Liu, Lin Lin, Roberto Car, Weinan E, Weile Jia, Linfeng Zhang
2020	J	`jnl`	DP-GEN: A concurrent learning platform for the generation of reliable deep learning based potential energy models. Comput. Phys. Commun. Yuzhi Zhang, Haidi Wang, Weijie Chen, Jinzhe Zeng, Linfeng Zhang, Han Wang, Weinan E
2020	J	`jnl`	DeePKS: a comprehensive data-driven approach towards chemically accurate density functional theory. CoRR Yixiao Chen, Linfeng Zhang, Han Wang, Weinan E
2020	J	`jnl`	Integrating Machine Learning with Physics-Based Modeling. CoRR Weinan E, Jiequn Han, Linfeng Zhang
2020	A	`conf`	Pushing the limit of molecular dynamics with SC Weile Jia, Han Wang, Mohan Chen, Denghui Lu, Lin Lin, Roberto Car, Weinan E, Linfeng Zhang
2019	J	`jnl`	Deep Density: circumventing the Kohn-Sham equations via symmetry preserving neural networks. CoRR Leonardo Zepeda-Núñez, Yixiao Chen, Jiefu Zhang, Weile Jia, Linfeng Zhang, Lin Lin
2019	J	`jnl`	Solving many-electron Schrödinger equation using deep neural networks. J. Comput. Phys. Jiequn Han, Linfeng Zhang, Weinan E
2019	J	`jnl`	Universal approximation of symmetric and anti-symmetric functions. CoRR Jiequn Han, Yingzhou Li, Lin Lin, Jianfeng Lu, Jiefu Zhang, Linfeng Zhang
2018	J	`jnl`	Active Learning of Uniformly Accurate Inter-atomic Potentials for Materials Simulation. CoRR Linfeng Zhang, De-Ye Lin, Han Wang, Roberto Car, Weinan E
2018	J	`jnl`	DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics. Comput. Phys. Commun. Han Wang, Linfeng Zhang, Jiequn Han, Weinan E
2018	A*	`conf`	End-to-end Symmetry Preserving Inter-atomic Potential Energy Model for Finite and Extended Systems. NeurIPS Linfeng Zhang, Jiequn Han, Han Wang, Wissam Saidi, Roberto Car, Weinan E
2018	J	`jnl`	Monge-Ampère Flow for Generative Modeling. CoRR Linfeng Zhang, Weinan E, Lei Wang
2017	J	`jnl`	DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics. CoRR Han Wang, Linfeng Zhang, Jiequn Han, Weinan E
2017	J	`jnl`	Deep Potential Molecular Dynamics: a scalable model with the accuracy of quantum mechanics. CoRR Linfeng Zhang, Jiequn Han, Han Wang, Roberto Car, Weinan E
2017	J	`jnl`	Reinforced dynamics for enhanced sampling in large atomic and molecular systems. I. Basic Methodology. CoRR Linfeng Zhang, Han Wang, Weinan E