Ziyu Xiong

PhD candidate, Computer Science, Princeton University

I am a PhD candidate in Computer Science at Princeton University, advised by Prof. Ellen D. Zhong. I develop AI methods for scientific discoveries. My current work combines generative models with reasoning models (LLM agents) to determine the structures of small molecules from their NMR spectra.

Previously, I earned a B.E. in Computer Science from Zhejiang University (Chu Kochen Honors College). During my undergraduate studies, I explored diffusion model methods for controllable text-to-image generation and molecule generation. I was fortunate to be a research intern with Prof. Tommi Jaakkola at MIT CSAIL, mentored by Dr. Yilun Xu, and to collaborate with Dr. Yuanqi Du from Cornell.

ziyux [at] princeton [dot] edu