AI × RNA × Biomolecular Discovery

Zhiqi Ma

AI for Biomolecular Design & Scientific Discovery.
I develop generative and optimization methods for RNA, therapeutic sequences, and reliable molecular design — with the long-term goal of closing the loop between scientific reasoning, molecular generation, and biological experiments.
Visiting Researcher · MedAI Lab, Westlake UniversityJoint PhD Program Pre-admit · Zhongguancun AcademyGenerative AIRNA / siRNABiomolecular Design
Research

Three directions toward biomolecular discovery.

01

RNA Structure–Sequence Co-design

Developing generative models that couple RNA sequence and structure through explicit biological and topological constraints.

Focussequence · structure · topology
02

Therapeutic Sequence Design

Developing generative approaches for functional RNA and peptide therapeutics under biological constraints.

FocussiRNA · peptide · reliable optimization
03

Reliable Generative Optimization

Studying when generative optimization genuinely improves biological candidates—and when it exploits imperfect predictors, benchmarks, or evaluation protocols.

Focusobjectives · evaluation · reliability
Publications & Preprints

Scientific questions behind the work.

siProGenA: Generative siRNA Candidate Construction via Position Proposal and Guide Generation

Zhiqi Ma*, Zhipeng Deng, Jiale Zhou*, Zhijian Wu, Rubo Wang, Yefeng Zheng†

bioRxiv preprint, 2026

Scientific question: Where to target and what guide sequence to design.

A generative framework for transcript-level siRNA candidate construction through joint target position proposal and guide generation.

siRNA-mRNA Dual Diffusion Model for RNAi Drug Design

Zhiqi Ma, Xubin Zheng†

ICLR 2025 AI4NA Workshop

Scientific question: How to generate effective RNAi candidates with diffusion models under biological constraints.

A diffusion-based framework for RNAi candidate generation by modeling target context and guide sequence design.

PRAGA: Prototype-aware Graph Adaptive Aggregation for Spatial Multi-Modal Omics Analysis

Xinlei Huang, Zhiqi Ma, Dian Meng, Yanran Liu, Shiwei Ruan, Qingqiang Sun, Xubin Zheng†, Ziyue Qiao

AAAI 2025

Scientific question: How to learn robust biological representations from spatial multimodal omics data.

A prototype-aware graph learning framework for multimodal spatial omics representation.

M2oE: Multimodal Collaborative Expert Peptide Model

Zengzhu Guo*, Zhiqi Ma*

IEEE BIBM 2024

Scientific question: How to integrate multimodal biological information for peptide representation learning.

A multimodal expert framework for learning peptide representations from complementary biological features.

Background

Experience & education.

Research Experience

Visiting Researcher

Medical Artificial Intelligence Laboratory, Westlake University · Supervised by Prof. Yefeng Zheng

Jun 2026–Present

Research Assistant Intern

Peking University

Jan–May 2026

Research Assistant Intern

Shanghai Jiao Tong University School of Medicine · Supervised by Prof. Haicang Zhang

Jun–Oct 2025

Research Assistant Intern

Great Bay University · Supervised by Prof. Xubin Zheng

Jun 2024–Jun 2025

Business Intelligence Researcher

NetEase Games · Generative AI

Jul–Oct 2023

Education

M.Sc. in Bioinformatics

The Chinese University of Hong Kong, Shenzhen

2024–2026

B.Eng. in Information and Computing Science

Jinan University–University of Birmingham International Joint Programme

2020–2024
Long-term research vision

Beyond benchmark optimization.

UnderstandLearning representations that capture biological structure, function, and constraints.
Generate & ReasonBuilding AI systems that generate molecular designs and reason about scientific hypotheses.
ValidateTesting computational predictions through independent evaluation and biological experiments.
DiscoverTurning validated models and hypotheses into new scientific insights.

My long-term goal is to develop reliable AI systems that move beyond black-box optimization toward scientifically grounded discovery. I am particularly interested in connecting generative models, scientific reasoning, and biological validation—and in building scientific agents that can support this iterative process.

About

I am a researcher working at the intersection of generative AI, computational biology, and scientific discovery.

I received my M.Sc. in Bioinformatics from The Chinese University of Hong Kong, Shenzhen, and I am currently a Visiting Researcher at Westlake University.

My research focuses on generative models for RNA and therapeutic biomolecules, particularly sequence–structure co-design, siRNA generation, and reliable molecular optimization. Across these problems, I am interested in how structural and biological constraints can be incorporated into generative models, and how model-guided optimization can be evaluated reliably.

Beyond biomolecular design, I am also interested in scientific agents that can support researchers in reasoning, hypothesis generation, and iterative experimentation.

Beyond Research
Zhiqi Ma at a vintage red telephone

Outside research, I enjoy films and music. One song I keep returning to is The Last Day of the End of the World by NoMBe.