Publications

Full list of my publications is available at my google scholar.

   Selected publications:

Mathematical AI:

• Hongsong Feng, Faisal Suwayyid, Mushal Zia, JunJie Wee, Yuta Hozumi, Chunlong Chen, Guo-Wei Wei, CAML: Commutative algebra machine learning -- a case study on protein-ligand binding affinity prediction, Journal of Chemical Information and Modeling, (2025)

• Hongsong Feng, Li Shen, Jian Liu, and Guo-Wei Wei, Mayer homology learning prediction of protein-ligand binding affinities, Journal of Computational Biophysics and Chemistry, (2024) 1-14.

• Li Shen*, Hongsong Feng*, Fengling Li, Fengchun Lei, Jie Wu, Guo-Wei Wei, Knot data analysis using multiscale Gauss link integral, Proceedings of the National Academy of Sciences 121 (42), e2408431121. (* co-first authors)

AI-aided drug design and discovery:

• Hongsong Feng, Sean Cottrell, Hozumi Yuta, Guo-Wei Wei, Multiscale differential geometry learning of networks with applications to single-cell RNA sequencing data, Computers in Biology and Medicine 171, (2024) 108211.

• Hongsong Feng and Guo-Wei Wei. Virtual Screening of DrugBank Database for hERG Blockers Using Topological Laplacian-assisted AI Models. Computers in Biology and Medicine 153 (2023): 106491.

• Hongsong Feng, Rui Wang, Chang-Guo Zhan, and Guo-Wei Wei. Multi-objective Molecular Optimization for Opioid Use Disorder Treatment Using Generative Network Complex. Journal of Medicinal Chemistry 66 (2023): 12479-12498.

• Hongsong Feng, Kaifu Gao, Dong Chen, Li Shen, Alfred J Robison, Edmund Ellsworth, and Guo-Wei Wei. Machine Learning Analysis of Cocaine Addiction Informed by DAT, SERT, and NET-Based Interactome Networks. Journal of Chemical Theory and Computation 18 (2022): 2703–2719.

• Li Shen, Hongsong Feng, Yuchi Qiu, and Guo-Wei Wei. SVSBI: Sequence-based Virtual Screening of Biomolecular Interactions. Communications Biology 6 (2023): 536.

    Numerical algorithms for partial differential equations:

• Hongsong Feng and Shan Zhao. FFT-based High Order Central Difference Schemes for the Three-dimensional Poisson Equation with Various Types of Boundary Conditions. Journal of Computational Physics 410 (2020): 109391.

• Hongsong Feng and Shan Zhao. A Fourth Order Finite Difference Method for Solving Elliptic Interface Problems with the FFT Acceleration. Journal of Computational Physics 419 (2020): 109677.

• Yiming Ren, Hongsong Feng, and Shan Zhao. FFT-based High Order Central Difference Schemes for Poisson's Equation on Irregular Domain. Journal of Computational Physics 448 (2022): 110762.