Yong-Min Shin

Yong-Min Shin

yongmin.shin@lgresearch.ai

Hello! I am a research scientist working for the Material intelligence lab in LG AI Research, solving various real-world problems using machine learning, including building an AI-powered autonomous lab system.

I am currently working towards building an autonomous lab system that can perform organic synthesis experiments in an end-to-end loop, using AI models to design experiments, proceed the experiments, and analyze the results.

My previous research interests mainly included graph learning and explainable AI, which I am still interested in. I am currently exploring how to apply my expertise in graph learning to enhance the performance of AI models in the material science domain, as well as to provide explainable and interpretable insights into the AI model and its discoveries.

Before joining LG AI Research, I completed my Ph.D at MIDaS Lab led by Prof. Won-Yong Shin, [Dept. Computer Science & Engineering in Yonsei University, Seoul, South Korea.

I also have published in conferences like AAAI, IJCAI, SIGIR, LoG, and journals like PAMI, PlosOne, as well as serving as a reviewer for top AI/ML conferences such as NeurIPS, AAAI, IJCAI, KDD, WWW, and so on. I still actively write research papers whenever I can, and still serve as a reviewer for top AI/ML conferences. You can find my publications in the Publications page.

I also have some side projects, including:

  • Mechanistic Interpretability: I personally think that this is the future of XAI research. Although I don’t have the capacity to be fully active at the moment, I used to translate several important articles on mechanistic interpretability into Korean. Check out this Gitbook if you are interested!
  • Causal Inference: With the help of Brady Neal’s Introduction to Causal Inference, I am trying to understand the concept of causality to understand how it can impact the explainability of machine learning models.

Here is my formal CV :)

(Btw, I also have a personal photography blog page. Check it out if you are interested👍)

Recent News

Jul 10, 2026 My first paper at LG AI Research was accepted to ICML workshop on Mechanistic Interpretability! This is also my first paper in mechanistic interpretability, where I explore graph transformers and their ability to understand graph input and the composition they make to solve graph tasks. You can find the paper here.
Nov 10, 2025 After about 4 months of internship, I officially joined LG AI Research as a Research Scientist! I will be mainly working on building a AI-driven autonomous lab for material discovery. Looking forward to exciting research and collaborations ahead!
Jul 20, 2025 The paper “DeformMLP: Effective Deformation Prediction for Breast Cancer Using Graph Topology-Assisted MLPs” has been accepted for the Digital Twin for Healthcare (DT4H) workshop at MICCAI 2025. This work introduces DeformMLP, a novel approach that leverages node features generated from graph propagation to predict breast cancer deformation. The method demonstrates that we can achieve high efficiency while exploiting the graph structure without the need for graph neural networks (GNNs). Thanks to my co-authors for their contributions, as well as the reviewers for their valuable feedback.
Jun 23, 2025 I started a new position as a research scientist intern at LG AI Research in Seoul, South Korea, from June 2025. I will be working on applying machine learning methods to chemical and material science problems, and I am excited to contribute to the research in this area. I am grateful for the opportunity and look forward to collaborating with the LG AI Research team.

Selected Publications

  1. ICMLW
    Discovering Mechanisms in Tokenized Graph Transformers
    Yong-Min Shin, Dae-Woong Jeong, and Sehui Han
    In ICML Workshop on Mechanistic Interpretability, Jul 2026
    2026
  2. AAAI
    Faithful and Accurate Self-Attention Attribution for Message Passing Neural Networks via the Computation Tree Viewpoint
    Yong-Min Shin, Siqing Li, Xin Cao, and Won-Yong Shin
    In AAAI, Feb 2025
    2025
  3. IJCAIW
    On the Feasibility of Fidelity⁻ for Graph Pruning
    Yong-Min Shin, and Won-Yong Shin
    In IJCAI Workshop on Explainable Artificial Intelligence (XAI), Aug 2024
    2024
  4. SIGIR
    Turbo-CF: Matrix Decomposition-Free Graph Filtering for Fast Recommendation
    Jin-Duk Park, Yong-Min Shin, and Won-Yong Shin
    In ACM SIGIR Conference on Research and Development in Information Retrieval, Apr 2024
    2024
  5. LoG
    Propagate & Distill: Towards Effective Graph Learners Using Propagation-Embracing MLPs
    Yong-Min Shin, and Won-Yong Shin
    In The Second Learning on Graphs Conference, Nov 2023
    2023
  6. PAMI
    PAGE: Prototype-Based Model-Level Explanations for Graph Neural Networks
    Yong-Min Shin, Sun-Woo Kim, and Won-Yong Shin
    Transactions on Pattern Analysis and Machine Intelligence, Nov 2024
    2024
  7. AAAI
    Prototype-Based Explanations for Graph Neural Networks (Student Abstract) (selected for oral presentation)
    Yong-Min Shin, Sun-Woo Kim, Eun-Bi Yoon, and Won-Yong Shin
    In AAAI Conference on Artificial Intelligence, (AAAI), Feb 2022
    2022
  8. arXiv
    Time-Series Anomaly Detection with Implicit Neural Representation
    Kyeong-Joong Jeong, and Yong-Min Shin
    arXiv preprint, Feb 2022
    2022
  9. TETC
    Edgeless-GNN: Unsupervised Representation Learning for Edgeless Nodes
    Yong-Min Shin, Cong Tran, Won-Yong Shin, and Xin Cao
    IEEE Transactions on Emerging Topics in Computing, Jul 2022
    2022
  10. PLOS ONE
    Explainable gait recognition with prototyping encoder–decoder
    Jucheol Moon, Yong-Min Shin, Jin-Duk Park, Nelson Hebert Minaya, Won-Yong Shin, and Sang-Il Choi
    PLOS ONE, Mar 2022
    2022

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