计算机科学
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Structure-alignment-driven cross-graph modeling for functional RNA design
作者Shengfan Wang; Jun Wang; Xiaojian Liu; Weimin Zhu; Jiaqi Huang; Yiming Xue; Junchi Yan; Hong-Bin Shen; Jie Song; Xiaoyong Pan
作者单位1. Institute of Image Processing and Pattern Recognition, Shanghai Jiao Tong University, Key Laboratory of System Control and Information Processing, Ministry of Education of China, Shanghai, China; 2. Institute of Nano Biomedicine and Engineering, Department of Instrument Science and Engineering, School of Electronic Information and Electrical Engineering, Shanghai Jiao Tong University, Shanghai, China; 3. Hangzhou Institute of Medicine Chinese Academy of Sciences, Hangzhou, China; 4. School of Artificial Intelligence, Shanghai Jiao Tong University, Shanghai, China
Generative model for information metamaterial design
作者Junming Hou; Long Chen; Xuan Zheng; Jia Wei Wu; Jian Wei You; Zi Xuan Cai; Jiahan Huang; Chenxu Wu; Jian Lin Su; Lianlin Li; Jia Nan Zhang; Tie Jun Cui
作者单位1. State Key Laboratory of Millimeter Waves, Southeast University, Nanjing, China; 2. School of Information Science and Engineering, Southeast University, Nanjing, China; 3. State Key Laboratory of Photonics and Communications, Peking University, Beijing, China; 4. Institute of Electromagnetic Space, Southeast University, Nanjing, China; 5. Suzhou Laboratory, Suzhou, China
UniFFBench: evaluating universal machine learning force fields against experimental measurements
作者Sajid Mannan; Vaibhav Bihani; Carmelo Gonzales; Kin Long Kelvin Lee; Nitya Nand Gosvami; Sayan Ranu; Santiago Miret; N. M. Anoop Krishnan
作者单位1. Department of Civil and Environmental Engineering, Indian Institute of Technology Delhi, Hauz Khas, India; 2. Yardi School of Artificial Intelligence, Indian Institute of Technology Delhi, Hauz Khas, India; 3. Intel Labs, Santa Clara, USA; 4. NVIDIA Corporation, Santa Clara, USA; 5. Department of Materials Science and Engineering, Indian Institute of Technology Delhi, Hauz Khas, India; 6. Department of Computer Science and Engineering, Indian Institute of Technology Delhi, Hauz Khas, India
Understanding language model scaling for protein fitness prediction
作者Chao Hou; Di Liu; Aziz Zafar; Yufeng Shen
作者单位1. Department of Systems Biology, Columbia University Irving Medical Center, New York, USA; 2. Department of Biomedical Informatics, Columbia University Irving Medical Center, New York, USA; 3. JP Sulzberger Columbia Genome Center, Columbia University, New York, USA; 4. Program for Mathematical Genomics, Columbia University Irving Medical Center, New York, USA
Empowering neural network-based quantum Monte Carlo with local pseudopotentials
作者Weizhong Fu; Ryunosuke Fujimaru; Ruichen Li; Yuzhi Liu; Xuelan Wen; Xiang Li; Kenta Hongo; Liwei Wang; Tom Ichibha; Ryo Maezono; Ji Chen; Weiluo Ren
作者单位1. ByteDance Seed, Beijing, People’s Republic of China; 2. School of Physics, Peking University, Beijing, People’s Republic of China; 3. School of Information Science, JAIST, Nomi, Japan; 4. Center for Advanced Scientific Computing, JAIST, Nomi, Japan; 5. National Key Laboratory of General Artificial Intelligence, School of Intelligence Science and Technology, Peking University, Beijing, People’s Republic of China; 6. Center for Machine Learning Research, Peking University, Beijing, People’s Republic of China; 7. Graduate Major in Materials and Information Sciences, School of Materials and Chemical Technology, Institute of Science Tokyo, Meguro-ku, Japan; 8. Interdisciplinary Institute of Light-Element Quantum Materials and Research Center for Light-Element Advanced Materials, Peking University, Beijing, People’s Republic of China; 9. State Key Laboratory of Artificial Microstructure and Mesoscopic Physics and Frontiers Science Center for Nano-Optoelectronics, Peking University, Beijing, People’s Republic of China
Integrating cytological images and spatial transcriptomics for cell segmentation with DISSECT
作者Yufeng He; Yanping Zhao; Rui Zhang; Heli Yang; Zongxu Zhang; Pengfei Ren; Ce Luo; Peng Zhang; Zhe Zhang; Sen Hou; Zhaode Bu; Yuan Luo; Deng Pan; Zexian Zeng
作者单位1. Peking-Tsinghua Center for Life Sciences, Academy for Advanced Interdisciplinary Studies, Peking University, Beijing, China; 2. Tsinghua-Peking Center for Life Sciences, School of Life Sciences, Tsinghua University, Beijing, China; 3. Key Laboratory of Carcinogenesis and Translational Research (Ministry of Education/Beijing), Center of Gastrointestinal Cancer, Peking University Cancer Hospital and Institute, Beijing, China; 4. Center for Quantitative Biology, Academy for Advanced Interdisciplinary Studies, Peking University, Beijing, China; 5. Department of Obstetrics and Gynecology, Seventh Medical Center of Chinese PLA General Hospital, Beijing, China; 6. Department of Gastroenterological Surgery, Peking University People’s Hospital, Beijing, China; 7. Department of Preventive Medicine, Feinberg School of Medicine, Northwestern University, Chicago, USA; 8. Tsinghua-Peking Center for Life Sciences, Department of Basic Medical Sciences, Tsinghua University, Beijing, China; 9. Peking University Chengdu Academy for Advanced Interdisciplinary Biotechnologies, Chengdu, China
NEP89: universal neuroevolution potential for inorganic and organic materials across 89 elements
作者Ting Liang; Ke Xu; Eric Lindgren; Zherui Chen; Rui Zhao; Jiahui Liu; Esmée Berger; Benrui Tang; Bohan Zhang; Yanzhou Wang; Keke Song; Penghua Ying; Nan Xu; Haikuan Dong; Shunda Chen; Paul Erhart; Zheyong Fan; Tapio Ala-Nissila; Jianbin Xu
作者单位1. College of Physical Science and Technology, Bohai University, Jinzhou, China; 2. Department of Electronic Engineering and Materials Science and Technology Research Center, The Chinese University of Hong Kong, Hong Kong, China; 3. Department of Physics and Astronomy, Chalmers University of Technology, Gothenburg, Sweden; 4. Future Technology School, Shenzhen Technology University, Shenzhen, China; 5. College of Applied Sciences, Shenzhen University, Shenzhen, China; 6. School of Mechanical and Electrical Engineering, Xinyu University, Xinyu, China; 7. Beijing Advanced Innovation Center for Materials Genome Engineering, University of Science and Technology Beijing, Beijing, China; 8. MSP group, QTF Centre of Excellence, Department of Applied Physics, Aalto University, Espoo, Finland; 9. College of Physics and Information Engineering, Fuzhou University, Fuzhou, China; 10. Department of Physical Chemistry, School of Chemistry, Tel Aviv University, Tel Aviv, Israel; 11. College of Chemical and Biological Engineering, Zhejiang University, Hangzhou, China; 12. Department of Civil and Environmental Engineering, George Washington University, Washington, USA; 13. Wallenberg Initiative Materials Science for Sustainability, Chalmers University of Technology, Gothenburg, Sweden; 14. Interdisciplinary Centre for Mathematical Modelling, Department of Mathematical Sciences, Loughborough University, Loughborough, UK
Computing inspired by the brain: a journey from algorithms to organoids
作者Paris Brown; Shyni Varghese
作者单位1. Department of Biomedical Engineering, Duke University, Durham, USA; 2. Department of Mechanical Engineering and Materials Science, Duke University, Durham, USA; 3. Department of Orthopaedic Surgery, Duke University School of Medicine, Durham, USA
Systematic bottom-up coarse-graining of hydrated excess proton transport across scales
作者Jaehyeok Jin; Zhefu Li; Gregory A. Voth
作者单位1. Department of Chemistry, Chicago Center for Theoretical Chemistry, Institute for Biophysical Dynamics, and James Franck Institute, The University of Chicago, Chicago, USA; 2. Department of Chemistry, Columbia University, New York, USA
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