MinGyu Choi

Graduate Student, MIT
KFAS Fellow
Robert T. Haslam (1911) MIT Presidential Fellow

chemgyu [AT] mit.edu

Bio

I am a second-year Ph.D. student at MIT Chemistry, co-advised by Tommi Jaakkola and Regina Barzilay .

My research interest includes generative models for Science, especially for bio/organic chemistry and clinical applications. Current focus is on enzymatric reactions and enzyme design.

Previously, I received my double major B.S. in Chemistry with Computer Science and Engineering at Seoul National University. I studied about Clinical time series imputation with Changhee Lee , AI-guided drug discovery at AIGENDRUG. Also, I experienced wide and deep research in Enzyme chemistry under Seokhee Kim, Organic synthesis under Dongwhan Lee, and Prebiotic peptide synthesis with Matthew Powner.

Publications

Most recent publications on Google Scholar.
‡ indicates equal contribution.

  • Selected
  • All

Conditional Information Bottleneck Approach for Time Series Imputation

MinGyu Choi, Changhee Lee

ICLR24: International Conference on Learning Representations

OpenReview

Clinical Time Series Imputation using Conditional Information Bottleneck

MinGyu Choi, Changhee Lee

NeurIPS23 DGM4H (Deep Generative Models for Health) Workshop

OpenReview Paper Poster

Triangular Contrastive Learning on Molecular Graphs

MinGyu Choi, Wonseok Shin, Yijingxiu Lu, and Sun Kim

MoML23: Molecular Machine Learning Conference

arXiv Paper Poster

Genome mining reveals high topological diversity of ω-ester-containing peptides and divergent evolution of ATP-grasp macrocyclases

Hyunbin Lee, MinGyu Choi, Jung-Un Park, Heejin Roh, and Seokhee Kim

JACS20: Journal of the American Chemical Society

Paper Data

Conditional Information Bottleneck Approach for Time Series Imputation

MinGyu Choi, Changhee Lee

ICLR24: International Conference on Learning Representations

Clinical Time Series Imputation using Conditional Information Bottleneck

MinGyu Choi, Changhee Lee

NeurIPS23 DGM4H (Deep Generative Models for Health) Workshop

Paper Poster

On Modeling and Utilizing Chemical Compound Information with Deep Learning Technologies: A Task-oriented Approach

Sangsoo Lim, Sangseon Lee, Yinhua Piao, MinGyu Choi, Dongmin Bang, Jeonghyeon Gu, and Sun Kim

CSBJ22: Computational and Structural Biotechnology Journal 2022

Paper Data

Triangular Contrastive Learning on Molecular Graphs

MinGyu Choi, Wonseok Shin, Yijingxiu Lu, and Sun Kim

MoML23: Molecular Machine Learning Conference

Paper Poster

Genome mining reveals high topological diversity of ω-ester-containing peptides and divergent evolution of ATP-grasp macrocyclases

Hyunbin Lee, MinGyu Choi, Jung-Un Park, Heejin Roh, and Seokhee Kim

JACS20: Journal of the American Chemical Society

Paper Data

Vitæ

Full Resume in PDF.

  • MIT 2023 - Present
    Ph.D. Student
    CSAIL, Chemistry
    Adviser: Tommi Jaakkola and Regina Barzilay
  • Chung-ang University Spring and Summer 2023
    Visiting Student
    Decision Intelligence Lab
    Adviser: Changhee Lee
  • Cambridge University Winter 2023
    Visiting Student
    Cambridge Centre for AI in Medicine
  • Seoul National University 2016 - 2023
    B.S. Student
    Double major in Chemistry, Computer Science and Engineering
    Summa Cum Laude
  • AIGENDRUG Co. Ltd. 2021-2022
    Machine Learning Researcher
    AI-guided Drug Discovery Group
  • University College London Summer 2019
    Visiting Student
    Department of Chemistry
    Adviser: Matthew Powner
MinGyu Choi
chemgyu [AT] mit.edu