Shuyi Jia

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Atlanta, GA

I am a PhD student in Computational Science and Engineering (CSE) at Georgia Tech advised by Prof. Victor Fung. I am passionate about machine learning and AI for Science, with my research focusing on deep generative models for accelerating materials discovery.

I earned my B.Eng in Computer Science with highest distinction from the Singapore University of Technology and Design (SUTD).

news

Aug 05, 2024 Review paper on GNNs accepted by Nature Reviews Electrical Engineering.
Jun 19, 2024 Preprint on autonomous materials discovery with LLMs.
Feb 13, 2024 Our work on pre-training GNNs has been accepted by Digital Discovery.

selected publications

  1. MLST
    Atomic structure generation from reconstructing structural fingerprints
    Victor Fung, Shuyi Jia, Jiaxin Zhang, and 3 more authors
    Machine Learning: Science and Technology, 2022
  2. arXiv
    LLMatDesign: Autonomous Materials Discovery with Large Language Models
    Shuyi Jia, Chao Zhang, and Victor Fung
    arXiv preprint arXiv:2406.13163, 2024