10 papers
Autonomous Agents for Scientific Discovery: Orchestrating Scientists, Language, Code, and Physics
Lianhao Zhou, Hongyi Ling, Cong Fu +14
Computing has long served as a cornerstone of scientific discovery. Recently, a paradigm shift has emerged with the rise of large language models (LLMs), introducing autonomous sys…
Protein Structure Tokenization via Geometric Byte Pair Encoding
Michael Sun, Weize Yuan, Gang Liu +2
Protein structure is central to biological function, and enabling multimodal protein models requires joint reasoning over sequence, structure, and function. A key barrier is the la…
Graph Diffusion Transformers are In-Context Molecular Designers
Gang Liu, Jie Chen, Yihan Zhu +4
In-context learning allows large models to adapt to new tasks from a few demonstrations, but it has shown limited success in molecular design. Existing databases such as ChEMBL con…
Post Hoc Regression Refinement via Pairwise Rankings
Kevin Tirta Wijaya, Michael Sun, Minghao Guo +3
Accurate prediction of continuous properties is essential to many scientific and engineering tasks. Although deep-learning regressors excel with abundant labels, their accuracy det…
DischargeSim: A Simulation Benchmark for Educational Doctor-Patient Communication at Discharge
Zonghai Yao, Michael Sun, Won Seok Jang +3
Discharge communication is a critical yet underexplored component of patient care, where the goal shifts from diagnosis to education. While recent large language model (LLM) benchm…
Privacy Preserving Inference of Personalized Content for Out of Matrix Users
Michael Sun, Tai Vu, Andrew Wang
Recommender systems for niche and dynamic communities face persistent challenges from data sparsity, cold start users and items, and privacy constraints. Traditional collaborative…