Yi-lun Liao

PhD Candidate

Cambridge, Massachusetts, United States
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Summary

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Rockstar
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Top School
Yi-lun Liao is an MIT EECS PhD candidate and researcher with eight years of experience at the intersection of machine learning and computational chemistry. He interned as a Research Scientist at Meta with the Open Catalyst Team, contributing to EquiformerV2 (ICLR 2024) and DeNS (TMLR 2024), work showcased in the OC demo. His background in electrical and electronics engineering from National Taiwan University underpins a strong foundation in signal processing and systems thinking applied to ML model design. Yi-lun combines deep academic rigor with practical collaboration on large-scale research projects, bridging theory and demo-ready systems. He is based in Cambridge, Massachusetts, and brings a track record of publishing and implementing state-of-the-art models for chemistry and materials problems. Notably, his internship contributions have been part of public-facing demonstrations that translate complex research into usable tools.
code8 years of coding experience
bookPhD student in EECS, PhD student in EECS at Massachusetts Institute of Technology
bookBachelor of Science - BS, Electrical and Electronics Engineering, (rank: 1/184), Bachelor of Science - BS, Electrical and Electronics Engineering, (rank: 1/184) at National Taiwan University
languagesEnglish, Chinese
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Github Skills (22)

materials-informatics10
chemistry10
computational-chemistry9
message-passing8
symmetry8
pytorch7
computational-physics7
machine-learning7
adaptation7
drug-discovery7
deep-learning6
geometric-deep-learning6
folding6
modular5
numerical5

Programming languages (1)

Python

Github contributions (5)

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[ICLR'24] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations
Contributions:15 pushes, 1 branch, 33 comments in 1 year 8 months
ai-for-sciencecatalyst-designcomputational-chemistrycomputational-physicsdeep-learning
atomicarchitects/DeNS

Jul 2024 - Feb 2025

Contributions:3 pushes, 1 branch, 5 comments in 6 months
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Yi-lun Liao - PhD Candidate