Welcome to Jiayi Li's academic homepage

Research in AI for drug discovery, molecular modeling, multimodal learning, and brain-inspired neural networks

I am an Assistant Professor in the Intelligent Systems Planning Laboratory, College of Information Science and Engineering, Ritsumeikan University. My research focuses on AI for drug discovery, molecular property prediction, activity cliffs, multimodal molecular learning, large language models, and brain-inspired neural networks.

About

Jiayi Li is an Assistant Professor at Ritsumeikan University. His research interests include AI for drug discovery, molecular property prediction, activity cliffs, multimodal molecular representation learning, brain-inspired neural networks, and large language models.

Research Interests

  • AI for drug discovery and molecular property prediction
  • Activity cliffs and complex structure-property relationships
  • Multimodal molecular representation learning with SMILES, graphs, and fingerprints
  • Brain-inspired neural networks and computational intelligence
  • Large language models for scientific discovery

Employment

  • April 2026–Present, Assistant Professor, Ritsumeikan University, Osaka, Japan
  • 2023–2026, Research Assistant (Part-time), University of Toyama, Faculty of Engineering, Toyama, Japan

Education

  • 2023–2026, Doctor of Engineering, Biological Information Systems, University of Toyama
  • 2021–2023, Master of Engineering, Intellectual Information Systems, University of Toyama
  • 2016–2020, Bachelor of Science, Computer Science and Technology, Beijing University of Civil Engineering and Architecture

Publications

35

Journal Papers

  1. Hongpeng Wang, Jiayi Li, Masaaki Omura, Ryo Nagaoka, Shangce Gao, Hideyuki Hasegawa*, "Blood Flow Visualization Using a ConvLSTM-Based Deep Learning Clutter Filter," Japanese Journal of Applied Physics, vol. 65, no. 7, pp. 07SP31, April 2026. DOI: 10.35848/1347-4065/ae55ae
  2. Jiayi Li, Zihang Zhang, Zhenyu Lei, Jiujun Cheng, Lianbo Ma, and Shangce Gao*, "MoLA: Molecular Multimodal Layerwise Adaptive Network for Molecular Property Prediction," Knowledge-Based Systems, vol. 338, pp. 115563, February 2026. DOI: 10.1016/j.knosys.2026.115563.
  3. Jiayi Li, Zihang Zhang, Chao Zhang, Jun Tang, and Shangce Gao*, "SDformer: Fusing Series Decomposition for Superior Long-term Time Series Forecasting," IEEE/CAA Journal of Automatica Sinica, 2025. DOI: 10.1109/JAS.2025.125588.
  4. Jiayi Li, Zihang Zhang, Tao Zheng, Jun Tang, Zhenyu Lei, and Shangce Gao*, "Discrete bi-population differential evolution for optimizing complex wind farm layouts in diverse terrains," Energy, vol. 335, pp. 137885, October 2025. DOI: 10.1016/j.energy.2025.137885.
  5. Tongyan Liu, Jiayi Li, Zihang Zhang, Hang Yu, and Shangce Gao*, "FD-GRNet: A Dendritic-Driven GRU Framework for Advanced Stock Market Prediction," IEEE Access, vol. 13, pp. 28265-28279, February 2025. DOI: 10.1109/ACCESS.2025.3541074.
  6. Zihang Zhang, Jiayi Li, Zhenyu Lei, Qianyu Zhu, Jiujun Cheng, and Shangce Gao*, "Reinforcement Learning-based Particle Swarm Optimization for Wind Farm Layout Problems," Energy, vol. 313, pp. 134050, December 2024. DOI: 10.1016/j.energy.2024.134050.
  7. Jiayi Li, Zhenyu Lei, Zhiming Zhang, Haotian Li, Yuki Todo, and Shangce Gao*, "Alternating Excitation-Inhibition Dendritic Computing for Classification," IEEE Transactions on Artificial Intelligence, vol. 5, no. 11, pp. 5431-5441, November 2024. DOI: 10.1109/TAI.2024.3416236.
  8. Haotian Li, Yifei Yang, Yirui Wang, Jiayi Li, Haichuan Yang, Jun Tang, and Shangce Gao*, "Population Interaction Network in Representative Gravitational Search Algorithms: Logistic Distribution Leads to Worse Performance," Heliyon, vol. 10, no. 11, pp. e31631, June 2024. DOI: 10.1016/j.heliyon.2024.e31631.
  9. Zihang Zhang, Qianrui Yu, Haichuan Yang, Jiayi Li, Jiujun Cheng, and Shangce Gao*, "Triple-layered Chaotic Differential Evolution Algorithm for Layout Optimization of Offshore Wave Energy Converters," Expert Systems with Applications, vol. 239, pp. 122439, April 2024. DOI: 10.1016/j.eswa.2023.122439.
  10. Haichuan Yang, Shangce Gao*, Zhenyu Lei, Jiayi Li, Yang Yu, and Yirui Wang, "An improved spherical evolution with enhanced exploration capabilities to address wind farm layout optimization problem," Engineering Applications of Artificial Intelligence, vol. 123, pp. 106198, August 2023. DOI: 10.1016/j.engappai.2023.106198.
  11. Zijing Yuan, Shangce Gao*, Yirui Wang, Jiayi Li, Chunzhi Hou, and Lijun Guo, "Prediction of PM2.5 time series by seasonal trend decomposition-based dendritic neuron model," Neural Computing and Applications, vol. 35, no. 21, pp. 15397-15413, July 2023. DOI: 10.1007/s00521-023-08513-0.
  12. Jiayi Li, Zhipeng Liu, Rong-Long Wang, and Shangce Gao*, "Dendritic Deep Residual Learning for COVID-19 Prediction," IEEJ Transactions on Electrical and Electronic Engineering, vol. 18, no. 2, pp. 297-299, February 2023. DOI: 10.1002/tee.23723.
  13. Xiaosi Li, Jiayi Li, Haichuan Yang, Yirui Wang, and Shangce Gao*, "Population Interaction Network in Representative Differential Evolution Algorithms: Power-law Outperforms Poisson Distribution," Physica A: Statistical Mechanics and its Applications, vol. 603, pp. 127764, October 2022. DOI: 10.1016/j.physa.2022.127764.
  14. Lin Yang, Jiayi Li, Runqun Xiong, Yuki Todo, and Shangce Gao*, "Adaptive chaotic equilibrium optimiser," International Journal of Bio-inspired Computation, vol. 19, no. 3, pp. 147-157, June 2022. DOI: 10.1504/IJBIC.2022.123125.
  15. Jiayi Li, Lin Yang, Junyan Yi, Haichuan Yang, Yuki Todo, and Shangce Gao*, "A Simple but Efficient Ranking-based Differential Evolution," IEICE Transactions on Information and Systems, vol. E105-D, no. 1, pp. 189-192, January 2022. DOI: 10.1587/transinf.2021EDL8053.
  16. Xiaosi Li, Haichuan Yang, Jiayi Li, Yirui Wang, and Shangce Gao*, "A Novel Distributed Gravitational Search Algorithm with Multi-layered Information Interaction," IEEE Access, vol. 9, pp. 166552-166565, December 2021. DOI: 10.1109/ACCESS.2021.3136239.
  17. Zhe Xu, Ziqian Wang, Jiayi Li, Ting Jin, Xianglian Meng, and Shangce Gao*, "Dendritic Neuron Model Trained by Information Feedback-Enhanced Differential Evolution Algorithm for Classification," Knowledge-Based Systems, vol. 233, pp. 107536, December 2021. DOI: 10.1016/j.knosys.2021.107536.
  18. Zhe Xu, Haichuan Yang, Jiayi Li, Xingyi Zhang, Bo Lu, and Shangce Gao*, "Comparative Study on Single and Multiple Chaotic Maps Incorporated Grey Wolf Optimization Algorithms," IEEE Access, vol. 9, pp. 77416-77437, June 2021. DOI: 10.1109/ACCESS.2021.3083220.

International Conferences

  1. Boyang Han, Shibo Dong, Haotian Li, Jiayi Li, and Shangce Gao*, "TGSA: An Elite Perturbation Strategy for Balanced Exploration-Exploitation," 6th International Symposium on Computer Engineering and Intelligent Communications (ISCEIC), November 28-30, 2025, Chongqing, China.
  2. Yuyao Tang, Kefan Ni, Zhenyu Lei, Jiayi Li, Zihang Zhang, and Shangce Gao*, "TriFusion-Mix Model: A Tri-Path Adaptive Fusion Framework for Molecular Representation Learning," 6th International Symposium on Computer Engineering and Intelligent Communications (ISCEIC), November 28-30, 2025, Chongqing, China.
  3. Jiayi Li, Yahan Sun, Chaopeng Ma, Zihang Zhang, Jiake Wang, Xiangmei Li, and Shangce Gao*, "MolLoRA: Low-Rank Adaptation of Large Language Models for Molecular Property Prediction," The Thirteenth International Conference on Advanced Cloud and Big Data (CBD), 2025.
  4. Kefan Ni, Jiayi Li, Zihang Zhang, Jiake Wang, Xiangmei Li, and Shangce Gao*, "RGFP-Net: Graph Neural Networks for Molecular Property Prediction in Drug Discovery," International Symposium on Artificial Intelligence and Robotics (ISAIR), 2025.
  5. Zhipeng Liu, Yidong Cao, Wentao Niu, Jiayi Li, Jiake Wang, Xiangmei Li, and Shangce Gao*, "Integrating Dendritic Learning with DenseNet for Accurate Brain Tumor Detection on MRI and CT Scans," The Thirteenth International Conference on Advanced Cloud and Big Data (CBD), 2025.
  6. Jiayi Li, Zhipeng Liu, Yaotong Song, and Shangce Gao*, "Recurrent Dendritic Neural Network," IEEE 11th Joint International Information Technology and Artificial Intelligence Conference (ITAIC), 2023.
  7. Zihang Zhang, Jiayi Li, Zhenyu Lei, Ting Jin, Yuki Todo, and Shangce Gao*, "Improved Spherical Evolution Algorithm with Intelligent Tuning of Search Space," 4th International Conference on Computer Engineering and Application (ICCEA), 2023.
  8. Yaotong Song, Houtian He, Zhiming Zhang, Jiayi Li, Zhipeng Liu, and Shangce Gao*, "GoogLeDNet: GoogLeNet with Dendritic Learning for Image Classification," 15th International Conference on Intelligent Human-Machine Systems and Cybernetics (IHMSC), 2023.
  9. Zihang Zhang, Zhenyu Lei, Ting Jin, Jiayi Li, Yuki Todo, and Shangce Gao*, "A new sight to optimize the layout of wave energy converters," 4th International Conference on Computer Engineering and Application (ICCEA), 2023.
  10. Jiayi Li, Zihang Zhang, Zhenyu Lei, Junyan Yi, and Shangce Gao*, "A lottery-based spherical evolution algorithm with elite retention strategy," 14th International Conference on Intelligent Human-Machine Systems and Cybernetics (IHMSC), 2022.
  11. Jiayi Li, Haichuan Yang, Zihang Zhang, Yuki Todo, and Shangce Gao*, "Improved Spatial Information Sampling Algorithm," 14th International Conference on Intelligent Human-Machine Systems and Cybernetics (IHMSC), 2022.
  12. Tao Zheng, Kaiyu Wang, Jiayi Li, Yuki Todo, and Shangce Gao*, "An Interactive Manta Ray Foraging Optimization Algorithm with Hierarchical Population Structure," 14th International Conference on Intelligent Human-Machine Systems and Cybernetics (IHMSC), 2022.
  13. Zijing Yuan, Jiayi Li, Haichuan Yang*, and Baohang Zhang, "A hybrid whale optimization and particle swarm optimization algorithm," IEEE International Conference on Progress in Informatics and Computing (PIC), 2021.
  14. Yanting Liu, Jiayi Li, Junyan Yi, Chuan Zhu, and Zhe Xu*, "Ranked hunger games search algorithms with Gaussian distribution-based fitness distance balance strategy," 14th International Symposium on Computational Intelligence and Design (ISCID), 2021.
  15. Sheng Li, Jiayi Li, Junyan Yi, Hang Yu, Shi Wang, and Shangce Gao*, "Incorporation of improved differential evolution into hunger games search algorithm," 13th International Conference on Intelligent Human-Machine Systems and Cybernetics (IHMSC), 2021.
  16. Haotian Li, Baohang Zhang, Jiayi Li, Tao Zheng, and Haichuan Yang*, "Using sparrow search hunting mechanism to improve water wave algorithm," IEEE International Conference on Progress in Informatics and Computing (PIC), 2021.
  17. Tao Zheng, Baohang Zhang, Haichuan Yang, Jiayi Li, and Shangce Gao*, "Differential Whale Optimization Algorithm," IEEE International Conference on Networking, Sensing and Control (ICNSC), 2021.

Honors and Awards

  • President’s Award, University of Toyama (2026)
  • Best Paper Award, The Thirteenth International Conference on Advanced Cloud and Big Data (2025)

Contact

Email: lijiayi212@gmail.com

Affiliation: Intelligent Systems Planning Laboratory, College of Information Science and Engineering, Ritsumeikan University