About
Peking University, YuanPei College
Shaoheng Yan AI, physics, and the shape of scientific representation.
I am currently majoring in Artificial Intelligence while pursuing a double degree in Physics, focusing on exploring the intersection of these fields through interdisciplinary knowledge and research.
photonyan at stu.pku.edu.cn
AI for Science
AI-driven scientific modeling across molecules, proteins, chemistry, biology, and physics.
Current focus: AIDD, AI4Chem, AI4Bio, AI4Phy, molecule generation, protein cofolding, molecular dynamics, and AI for LHC-style high-energy physics problems.
General Machine Learning
Representation learning, pretraining paradigms, and model architecture design.
Current focus: designing objectives and architectures that transfer across domains, with attention to structure, scale, data efficiency, and the inductive biases behind useful representations.
Efficient Computation
Algorithmic efficiency for scalable learning, simulation, and scientific computing.
Current focus: faster sampling and generation, efficient geometric algorithms, and computational methods that make large scientific models practical rather than merely expressive.
Toward Better Geometric Representations for Molecule Generative Models
Shaoheng Yan, Zian Li, Cai Zhou, Qiaojing Huang, Kai Liu, Muhan Zhang
FlashMol: High-Quality Molecule Generation in as Few as Four Steps
Xinyuan Wei, Zian Li, Shaoheng Yan, Cai Zhou, Muhan Zhang
LLMs Know More Than Words: A Genre Study with Syntax, Metaphor & Phonetics
Weiye Shi, Zhaowei Zhang, Shaoheng Yan, Yaodong Yang
GeoRecon: Graph-Level Representation Learning for 3D Molecules via Reconstruction-Based Pretraining
Shaoheng Yan, Zian Li, Muhan Zhang
- NeurIPS 2026 Reviewer Invitation Invited to serve as a reviewer for NeurIPS 2026.Academic service
- ICML 2026 GenBio Workshop Reviewer Invited reviewer for the ICML 2026 GenBio Workshop.Academic service
- Key Student Leader, Tong Class Student Self-Governance CommitteeService
- Peking University Institute for Artificial Intelligence Dean's ScholarshipAward
- First Prize, Mathematics competition of Chinese College StudentsAward
- Peking University Freshman Boya ScholarshipAward
- Peking University Freshman First-Class ScholarshipAward
Inspire Creativity, Enrich Life！
A useful representation should do more than compress data. It should expose the coordinates that matter, discard the ones that should not matter, and leave enough structure for the next model or scientist to act on it.
That is why this site mixes lots of things. They are different outputs of the same habit: build a precise object, then make it legible.
- Scientific ML From molecular graphs and 3D reconstruction to representations that can serve search, design, and interpretation.
- Physics grounding Classical mechanics, quantum mechanics, field theory, relativity, and mathematical methods as working vocabulary.
- Learning artifacts Lecture notes, essays, and course records kept as public memory instead of private scratch work.
The archive emphasizes technical courses, reading programs, and partially completed self-study tracks.
Course lists and study blocks Expand the detailed archive
2025-2026 Spring / Year 2 Sem 2 (Upcoming)
- Mathematics for AI
- General Relativity
- General Physics Lab (II)
- Theoretical Mechanics
- Science and Technology Communication and Writing
AI, systems, and quantum track
- AI Systems Practice I
- Principles and Methods of Deep Learning-Based Content Generation
- Multi-Agent Systems
- Introduction to Robotics
- Concise Quantum Mechanics
- Introduction to Computer Vision
2025-2026 Fall (Year 2 Sem 1)
- Electromagnetism (Exemption)
- Machine Learning Notes
- Reinforcement Learning
- Quantum Mechanics A
- Intro to Modern Physics I w/ Notes
- Discrete Math (Turing Class) (Logic, Type Theory; Abstract Algebra, Stochastic Processes)
- Data Structures & Algorithms A
- AI System Practice (III)
- Financial Time Series Withdraw
- The Republic
- Quantum Field Theory (Weinberg) Partial
- Functional Analysis Partial
- Optimization Theory (GTM 258) Partial
2024-2025 Summer
- GTM 258: Foundations of Optimization
- Discrete Mathematics & Applications
- General Physics (Exemption Prep)
2024-2025 Spring (Year 1 Sem 2)
- Advanced Mathematics A
- Prob & Stats A
- Electrodynamics A
- Practice of Programming (C/C++) [Withdraw]
- Methods of Mathematical Physics
- Intro to AI
- AI System Practice (II)
- Real Analysis
- ODE & PDE
- Audited: Intro to Computing Art, Psychology of Art, Psychophysics
2024-2025 Fall (Year 1 Sem 1)
- Advanced Mathematics A
- Linear Algebra A
- Computing (C++) A
- Probability Theory
- Mathematical Analysis
- Partial: Modern QM, General Psychology
- Introduction to Machine Learning (CS50)
High School Studies
Advanced Placement / Self-Study
Advanced Mathematics, Linear Algebra, Analytic Geometry, General Physics, Theoretical Mechanics, Electrodynamics, Complex Analysis, Modern Optics, General Chemistry, Inorganic Chemistry, Geology, Atmospheric Physics. Partial: Diff Geometry & GR, Meteorology, Organic Chemistry.