About me

I am a thrid year PhD student at KAIST in Machine Learning and Artificial Intelligence (MLAI) Lab, under Prof. Sung Ju Hwang.

I am a third-year PhD student advised by Sung Ju Hwang. I have been working on the intersections of AI and life science, bridging their gap by modeling biomolecules and their complex system via representation learning, generative models, and LLMs. [CV]

Email: cleverki [at] kaist [dot] ac [dot] kr

Conference

• Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model

  [paper] [Project Page]
  ​Dongki Kim, Wonbin Lee, Sung Ju Hwang
  Conference on Neural Information Processing Systems (NeurIPS), 2025
  AI for Science at NeurIPS (AI4Science @ NeurIPS), 2025
  

• Graph Generation with Diffusion Mixture

  [paper]
  ​Jaehyeong Jo*, Dongki Kim*, Sung Ju Hwang
  International Conference on Machine Learning (ICML), 2024
  Machine Learning for Drug Discovery Workshop at ICLR (MLDD @ ICLR), 2023 (Spotlight)

• Protein Representation Learning by Capturing Protein Sequence-Structure-Function Relationship

  [paper]
  ​Eunki Ko*, Seul Lee*, Minseon Kim*, Dongki Kim, Sung Ju Hwang*
  ICLR Machine Learning for Genomics Explorations Workshop (MLGenX @ ICLR), 2024 (Spotlight)

• Antibody-SGM: Antigen-Specific Joint Design of Antibody Sequence and Structure using Diffusion Models

  [paper]
  ​ Xuezhi Xie, Jin Sub Lee, Dongki Kim, Jaehyeong Jo, Jisun Kim, Philip M. Kim
  Computation Biology Workshop at ICML (CompBio @ ICML), 2023

• Graph Self-supervised Learning with Accurate Discrepancy Learning

  [paper]
  ​Dongki Kim*, Jinheon Baek*, Sung Ju Hwang
  Conference on Neural Information Processing Systems (NeurIPS), 2022

• Edge Representation Learning with Hypergraphs

  [paper]
  ​Jaehyeong Jo*, Jinheon Baek*, Seul Lee*, Dongki Kim, Minki Kang, Sung Ju Hwang
  Conference on Neural Information Processing Systems (NeurIPS), 2021

Preprint

• Multimodal Prompt Optimization: Why Not Leverage Multiple Modalities for MLLMs

  [paper]
  ​Yumin Choi*, Dongki Kim*, Jinheon Baek, Sung Ju Hwang
  

• Rethinking Reward Models for Multi-Domain Test-Time Scaling

  [paper]
  ​Dong Bok Lee*, Seanie Lee*, Sangwoo Park, Minki Kang, Jinheon Baek, Dongki Kim, Dominik Wagner, Jiongdao Jin, Heejun Lee, Tobias Bocklet, Jinyu Wang, Jingjing Fu, Sung Ju Hwang, Jiang Bian, Lei Song