面向能源工业的人工智能技术应用和软件平台开发

针对复杂数据集的新型机器学习算法和自然语言处理方法的开发和应用，发展相应众核软件系统和智能物联网应用平台；发展融合新能源、新材料、生命科学等交叉学科的人工智能技术，构建新一代多尺度、高通量理论、方法和软件平台，进行能源转化过程的设计仿真和可视化表达，加速先进能源工业场景的设计效率和应用；交叉学科的多模数据库系统和知识图谱开发，借助人工智能技术发展多模态交互式系统，及相应移动服务平台集成。

在人工智能与机器学习、大数据与数据科学、领域大模型、计算机视觉及数字孪生等领域进行创新研究与应用。开发知识图谱和推荐系统，提升数据的价值转化效率，推动智能化服务和解决方案的实现。探索多元特征的大数据与数据科学，发展机器学习算法和自然语言处理技术，研究图像识别和处理技术，推动数字孪生技术在产品设计和生产优化，支持工业智能决策。发展融合材料科学和化学等交叉学科的人工智能技术，开发多模态数据库和高通量分析平台，构建材料领域大模型，推进工业的智能设计和应用。

1. 国家重点研发计划，2016YFB0700100，先进核燃料包壳的材料基因设计软件开发和应用示范，2016/07-2021/06，2200万元，结题，主持

2. 浙江省重点研发计划，2019C01060，大规模并行计算系统关键技术研究-大规模众核软件系统开发和高通量材料计算应用示范，2019/01-2021/12，250万元，结题，主持

[1] MLGN: A multi-label guided network for improving text classification, Q Liu, J Chen, F Chen, K Fang, P An, Y Zhang*, S Du*, IEEE Access, 11, 80392, (2023).

[2] ColdDTA: Utilizing data augmentation and attention-based feature fusion for drug-target binding affinity prediction, K Fang, Y Zhang, S Du*, J He*, Computers in Biology and Medicine, 164, 107372 (2023).

[3] Semi-supervised Metallographic Image Segmentation via Consistency Regularization and Contrastive Learning, F Chen, Y Zhang, Y Guo, Z Liu, S Du*, IEEE Access, 11, 87398-87408, (2023).

[4] Threshold Binary Grey Wolf Optimizer Based on Multi-elite Interaction for Feature Selection, HONGZHUO WU, SHIYU DU*, YIMING ZHANG, QUAN ZHANG, KAI DUAN, YANRU LIN, IEEE Access, 11, 34332-34348 (2023).

[5] AisNet: A Universal Interatomic Potential Neural Network with Encoded Local Environment Features, Zheyu Hu, Yaolin Guo*, Zhen Liu*, Diwei Shi, Yifan Li, Yu Hu, Moran Bu, Kan Luo, Jian He, Chong Wang, and Shiyu Du*, J. Chem. Inf. Model. 63, 6, 1756-1765 (2023).

[6] Dark Forest Algorithm: A Novel Metaheuristic Algorithm for Global Optimization Problems, Dongyang Li, Shiyu Du,*, Yiming Zhang and Meiting Zhao, CMC-Computers, Materials & Continua, Vol.75, No.2, pp. 2775-2803 (2023).

[7] First-principles study of electronic and optical properties of NH3-adsorbed Sc2CO2 monolayer and its application in gas sensors, Zhuquan Wang, Nianxiang Qiu*, Erxiao Wu, Qing Huang, Peng An, Heming He, Shiyu Du*, Journal of Materials Research and Technology, 24, 173-184, (2023).

[8] Charge Density Evolution Governing Interfacial Friction, Junhui Sun, Xin Zhang, Shiyu Du*, Jibin Pu, Yang Wang, Yanping Yuan, Linmao Qian*, Joseph S Francisco*, J. Am. Chem. Soc. 145, 9, 5536–5544 (2023).

[9] An adaptive parallel EI infilling strategy extended by non-parametric PMC sampling scheme for Efficient Global Optimization, Yu Hu, Yaolin Guo*, Zhen Liu, Yifan Li, Zheyu Hu, Diwei Shi, Moran Bu, Shiyu Du*, IEEE Access, 11, 17793-17810 (2023).

[10] Enhancement of Question Answering System Accuracy via Transfer Learning and BERT, Kai Duan, Shiyu Du*, Yiming Zhang, Yanru Lin, Hongzhuo Wu and Quan Zhang, Applied Sciences, 12, 11522 (2022).

[11] A Recommendation Strategy Integrating Higher-Order Feature Interactions with Knowledge Graphs, Yanru Lin, Shiyu Du*, Yiming Zhang, Kai Duan, Qing Huang, Peng An, IEEE Access 10, 119290 (2022).

[12] Improved Slime Mold Algorithm with Dynamic Quantum Rotation Gate and Opposition-Based Learning for Global Optimization and Engineering Design Problems, Yunyang Zhang, Shiyu Du*, Quan Zhang, Algorithms, 15 (9), 317 (2022).

[13] A Novel Chimp Optimization Algorithm with Refraction Learning and Its Engineering Applications, Q Zhang, S Du*, Y Zhang, H Wu, K Duan, Y Lin, Algorithms, 15(6), 189, (2022).