About Me

I’m a Ph.D. student in the Machine Learning and Artificial Intelligence (MLAI) lab at KAIST, under the supervision of Prof. Sung Ju Hwang. Prior to this, I obtained my Master’s degree also in the MLAI lab at KAIST. I obtained my Bachelor’s degrees (Aerospace Engineering, Biological Sciences) at KAIST.
My research interests include AI for science, deep drug discovery, and generative models.

Education

• Ph.D. student, Graduate School of AI
  KAIST, Sep. 2022 ~ present.
• M.S., Graduate School of AI
  KAIST, Mar. 2021 ~ Aug. 2022.
• B.S., Department of Aerospace Engineering / Department of Biological Sciences (Double Major)
  KAIST, Mar. 2015 ~ Aug. 2019.

Research Experience

• Research Intern, NVIDIA Research
  Feb. 2024 ~ Aug. 2024, Santa Clara, CA, US (remote)
  Research topic: Fundamental generative AI
• Research Intern, AITRICS
  Jan. 2021 ~ Feb. 2021, South Korea
  Research topic: Docking-optimized molecule generation using RL

Publications and Preprints

*: equal contribution

• Drug Discovery with Dynamic Goal-aware Fragments
  Seul Lee, Seanie Lee, and Sung Ju Hwang
  Under Review, 2023. [paper]
• A Simple and Scalable Representation for Graph Generation
  Yunhui Jang, Seul Lee, and Sungsoo Ahn
  Under Review, 2023. [paper]
  NeurIPS New Frontiers in Graph Learning Workshop, 2023.
• READRetro: Natural Product Biosynthesis Planning with Retrieval-Augmented Dual-View Retrosynthesis
  Seul Lee*, Taein Kim*, Min-Soo Choi, Yejin Kwak, Jeongbin Park, Sung Ju Hwang, and Sang-Gyu Kim
  Under Review, 2023. [paper][web]
• Exploring Chemical Space with Score-based Out-of-distribution Generation
  Seul Lee, Jaehyeong Jo, and Sung Ju Hwang
  ICML, 2023. [paper]
  ICLR Machine Learning for Drug Discovery Workshop (Oral), 2023.
• Score-based Generative Modeling of Graphs via the System of Stochastic Differential Equations
  Jaehyeong Jo*, Seul Lee*, and Sung Ju Hwang
  ICML, 2022. [paper][code]
• Edge Representation Learning with Hypergraphs
  Jaehyeong Jo*, Jinheon Baek*, Seul Lee*, Dongki Kim, Minki Kang, and Sung Ju Hwang
  NeurIPS, 2021. [paper][code]
• Hit and Lead Discovery with Explorative RL and Fragment-based Molecule Generation
  Soojung Yang, Doyeong Hwang, Seul Lee, Seongok Ryu, and Sung Ju Hwang
  NeurIPS, 2021. [paper][code]
• Robotic Scanning Technology for Laser Pulse-Echo Inspection
  Seul Lee, Jong-min Hyun, Hasan Ahmed, and Jung-ryul Lee
  Electronics Letters, 2020. [paper]

Awards and Honors

• KAIST Summa Cum Laude, Aug. 2019.
• KAIST Dean’s List (College of Engineering), Aug. 2018.
• KAIST Dean’s List (College of Engineering), Feb. 2018.
• Boeing Undergraduate Scholarship, Feb. 2018 ~ Aug. 2019.
• KAIST Presidential Fellowship (KPF), Mar. 2017 ~ Aug. 2019.
• KAIST Dean’s List (College of Life Science & Bioengineering), Feb. 2017.
• National Science and Engineering Undergraduate Scholarship, Mar. 2015 ~ Feb. 2019.