Biography

I am a third-year M.S. student in the Department of Computer Science and Technology at Nanning Normal University, affiliated with the Guangxi Key Lab of Human-machine Interaction and Intelligent Decision. I'm honored to be advised by Prof. Yuzhong Peng.

My research interest includes Deep Generative Models and their applications in Drug Design.

Education

• Sep. 2023 – June 2026: Nanning Normal University M.S. in Computer Science and Technology Advisor: Prof. Yuzhong Peng
• Sep. 2019 – June 2023: Nanning Normal University B.E. in Software Engineering

Publications

†: corresponding author; *: equal contribution

• MSCoD: An Enhanced Bayesian Updating Framework with Multi-Scale Information Bottleneck and Cooperative Attention for Structure-Based Drug Design.
  Long Xu^*, Yongcai Chen, Fengshuo Liu, Yuzhong Peng^†
  Preprint | Code
• RUMC: Reward-Guided Monte Carlo Sampling with Uncertainty for De Novo Molecular Generation.[NTCI 2025]
  Long Xu^*†, Yongcai Chen, Fengshuo Liu
  Paper | Code
• EFGen: An end-to-end Expert-Guided Fragment-level Framework for De Novo Molecular Generation.
  Long Xu^*, Mengji Wei, Junping Guo, Jianbo Zhao, Yuzhong Peng^†
  Paper | Code
• DMMRL: Disentangled Multi-Modal Representation Learning via Variational Autoencoders for Molecular Property Prediction.[CCBSB 2025]
  Long Xu^*, Junping Guo, Jianbo Zhao, Jianbo Lu, Wei Lan^†, Yuzhong Peng^†
  Abstract | Code

More About Me

My broader research interests lie in machine learning and its applications in AI for Science and structure-based drug design. I am passionate about drug design and hope to make a positive impact through my research.