About

Lei Huang

I am a Research Fellow at Massachusetts General Hospital and Harvard Medical School, working in Prof. Luca Pinello's group. My work sits at the intersection of artificial intelligence, therapeutic discovery, and computational biology.

I received my PhD in Computer Science from City University of Hong Kong, advised by Prof. Ka-Chun Wong. I was previously a visiting scholar with Prof. Manolis Kellis at MIT and Prof. Marinka Zitnik at Harvard.

My long-term goal is to develop AI systems that make biology more computable, predictable, and actionable. I am particularly interested in generative and foundation models for molecular design and cellular systems, as well as emerging agentic approaches for scientific discovery.

Generative therapeutics

Molecular and target-aware design for therapeutic discovery.

Computational cell models

Modeling cellular state, regulation, and perturbation from single-cell and multi-omic data.

Agentic AI for science

Exploring systems that connect biological hypotheses, data, and design decisions.

Our Alzheimer's single-cell epigenomics paper is published in Cell.

Single-cell multiregion epigenomic rewiring in Alzheimer's disease progression and cognitive resilience. Paper

Started as a Research Fellow at MGH / Harvard Medical School.

Joined Prof. Luca Pinello's group to work on generative models for proteins, DNA, and biological element design.

Our single-cell ATAC-seq diffusion model is accepted at NeurIPS 2024.

A versatile informative diffusion model for single-cell ATAC-seq data generation and analysis. Paper

Our 3D molecule generation model is published in Nature Communications.

A dual diffusion model enables 3D binding bioactive molecule generation and lead optimization given target pockets. Paper · Code

Cell 2025

Single-cell multiregion epigenomic rewiring in Alzheimer's disease progression and cognitive resilience

Collaborative work on disease progression, cognitive resilience, and single-cell epigenomic regulation.

NeurIPS 2024

A versatile informative diffusion model for single-cell ATAC-seq data generation and analysis

A generative framework for chromatin accessibility data, developed during my visiting scholar work with the Kellis Lab.

Nature Communications 2024

A dual diffusion model enables 3D binding bioactive molecule generation and lead optimization

Target-pocket-conditioned molecular generation for structure-aware lead optimization.