Huayuchen Hua 华羽宸

Undergraduate Student @ Peking University

Yuanpei College · Mμ Lab

AI for Science Molecular Machine Learning Computational Metabolomics Mass Spectrometry Scientific Foundation Models

About Me

关于我

I am an undergraduate student at Yuanpei College, Peking University, currently working on AI for Science. My research focuses on molecular machine learning, computational metabolomics, and mass spectrometry.

I am particularly interested in integrating chemical knowledge, biological priors, and scientific reasoning into deep learning models, with the goal of building machine learning systems that better understand scientific data rather than relying solely on black-box learning.

Previously, I worked on 3D molecular generation and molecular representation learning. More recently, my research has shifted toward knowledge-guided molecular retrieval and metabolite identification from tandem mass spectra.

中文简介

我是北京大学元培学院本科生，目前从事 AI for Science 方向的研究。我的工作聚焦于分子机器学习、计算代谢组学和质谱分析。我特别关注如何将化学知识、生物先验和科学推理融入深度学习模型，让机器学习系统能够真正理解科学数据，而不仅仅是依赖黑箱学习。

Research Interests

研究方向

AI for Science

Building machine learning systems that can reason with scientific knowledge for molecular understanding and discovery.

Molecular Representation Learning

Learning effective molecular representations from data that encode chemical and biological information.

Mass Spectrometry

Computational approaches for tandem mass spectrum analysis and metabolite identification.

Knowledge-guided Machine Learning

Incorporating chemical, biological, and physical priors into deep learning models for scientific data.

Scientific Foundation Models

Developing general-purpose foundation models that integrate multi-modal scientific data.

Learn more about my research →