Hello, I am Yijingxiu (Louise) Lu, a Senior Algorithm Researcher at Immunocan, Shanghai. I completed my combined master’s and Ph.D. program in Computer Science at Seoul National University in December 2025, where I worked with Prof. Sun Kim in the Bio & Health Informatics (BHI) Lab.

My research focuses on AI for drug discovery, with an emphasis on protein language models, antibody and nanobody engineering, and antibody–antigen interaction modeling. Previously, I worked at Clickmab Biotechnology and the Global Health Drug Discovery Institute (GHDDI).

Please feel free to reach out for research discussions and collaboration opportunities.

🔥 News

• 2026.09:  Joined Immunocan in Shanghai as a Senior Algorithm Researcher.
• 2026.01:  Joined Clickmab Biotechnology in Beijing as a Senior AI Research Scientist.
• 2025.12:  Completed my combined master’s and Ph.D. program in Computer Science at Seoul National University.
• 2025.08:  Started an internship at the Global Health Drug Discovery Institute (GHDDI) in Beijing, working on AI-powered drug discovery.
• 2024.10:  🎉🎉 Our researches received the Excellent Poster Awards in BIOINFO 2024.
• 2024.07:  🎉🎉 Our works are accepted by BIOKDD 2024.
• 2024.02:  🎉🎉 Co-work is accepted by CVPR 2024.
• 2024.02:  🎉🎉 Our work is accepted by ICLR tiny paper 2024.
• 2024.02:  🎉🎉 Co-work won the 30th Samsung HumanTech Paper Award.

📝 Main Publications

JCIM 2025 Improving Reaction Yield Prediction with Chemical Atom-Level Reaction Learning

[paper]

Yijingxiu Lu, Yinhua Piao, Ming Shen, Sun Kim

IEEE TCBB 2025 Context-Aware Hierarchical Fusion for Drug Relational Learning

[paper] [slides]

Yijingxiu Lu, Yinhua Piao, Sangseon Lee, Sun Kim

IEEE/ACM TCBB 2026 EnsDTI: Predicting Drug-Target Interaction with Mixture-of-Experts and Confidence Assessment

[paper] [BIOKDD 2024 version] [slides]

Yijingxiu Lu, Sangseon Lee, Soosung Kang, Sun Kim

ICLR Tiny 2024Enhancing Drug-Drug Interaction Prediction with Context-Aware Architecture (Notable: Top 16.25%)

[paper] [code]

Yijingxiu Lu, Yinhua Piao, Sun Kim

CSBJ 2021 A review on compound-protein interaction prediction methods: Data, format, representation and model

[paper]

Sangsoo Lim*, Yijingxiu Lu*, Chang Yun Cho, Inyoung Sung, Jungwoo Kim, Youngkuk Kim, Sungjoon Park, Sun Kim

📝 Publications

• NeurIPS 2026 AI4DD Workshop EPIC: Epitope–Paratope Interleaved Contact Learning for Antibody–Antigen Interface Prediction
  Yijingxiu Lu, Y. Li, W. Yang, X. Chen, T. Wang
  Accepted; forthcoming.
• Artificial Intelligence in the Life Sciences 2026 ISAAC: Prior-aligned structural sensitivity auditing for drug–target interaction models
  B. Tarantino, Sun Kim, Yijingxiu Lu, P. Giudici
• IEEE/ACM TCBB 2026 EnsDTI: Predicting Drug-Target Interaction with Mixture-of-Experts and Confidence Assessment
  Yijingxiu Lu, Sangseon Lee, Soosung Kang, Sun Kim
• NeurIPS 2025 Workshop Attentive Multi-Channel Molecular Representation in Drug-Target Affinity Prediction
  Ming Shen, Yijingxiu Lu, Boyu Feng, Irwin King
• JCIM 2025 Improving Reaction Yield Prediction with Chemical Atom-Level Reaction Learning
  Yijingxiu Lu, Yinhua Piao, Ming Shen, Sun Kim
• ICML 2025 CombiMOTS: Combinatorial Multi-Objective Tree Search For Dual-Target Molecule Generation
  Thibaud Southiratn, Bonil Koo, Yijingxiu Lu, Sun Kim
• BIOKDD 2024 IEEE TCBB 2025 Context-Aware Hierarchical Fusion for Drug Relational Learning
  Yijingxiu Lu, Yinhua Piao, Sangseon Lee, Sun Kim
• BIOKDD 2024 Mixture-of-Experts Approach for Enhanced Drug-Target Interaction Prediction and Confidence Assessment
  Yijingxiu Lu, Sangseon Lee, Soosung Kang, Sun Kim
• ICLR Tiny 2024 Enhancing Drug-Drug Interaction Prediction with Context-Aware Architecture (Notable: Top 16.25%)
  Yijingxiu Lu, Yinhua Piao, Sun Kim
• CVPR 2024 Improving Out-of-Distribution Generalization in Graphs via Hierarchical Semantic Environments
  Yinhua Piao, Sangseon Lee, Yijingxiu Lu, Sun Kim | Project
• MoML 2023 Triangular Contrastive Learning on Molecular Graphs
  MinGyu Choi, Wonseok Shin, Yijingxiu Lu, Sun Kim
• CSBJ 2021 A review on compound-protein interaction prediction methods: Data, format, representation and model
  Sangsoo Lim*, Yijingxiu Lu*, Chang Yun Cho, Inyoung Sung, Jungwoo Kim, Youngkuk Kim, Sungjoon Park, Sun Kim

🎖 Honors and Awards

• [2024.10] Excellent Poster Award on BIOINFO 2024.
• [2024.05] Notable Paper on ICLR Tiny Paper Track.
• [2024.02] Samsung HumanTech Paper Award (co-author).
• [2019.03-2021.06] SNU Global Scholarships II.

📖 Educations

• [2018.09 - 2025.12], Combined Master’s and Ph.D. Program, Computer Science, Seoul National University.
• [2017.03 - 2018.08], Korean Language Education, Seoul National University.
• [2013.08 - 2017.06], Bachelor Degree, Communication Engineering, University of Science Technology Beijing.

🔍 Study

• Xiao, Yi, et al. “Bridging Text and Molecule: A Survey on Multimodal Frameworks for Molecule.” arXiv preprint arXiv:2403.13830 (2024). [slides]
• Fu Cong, et al. “Fragment and Geometry Aware Tokenization of Molecules for Structure-Based Drug Design Using Language Models” arXiv preprint arXiv:2408.09730 (2024) [slides]
• Yu, Jiating, et al. “Reverse network diffusion to remove indirect noise for better inference of gene regulatory networks.” Bioinformatics 40.7 (2024): btae435. [slides]

💻 Internships

• [2018.03 - 2018.08], BHI Lab, Korea.