Bo Li 李波 — AI for Biology: from multimodal virtual cells to experimental decisions

AI for BiologyMultimodal Virtual Cells · Perturbation Modeling · Intervention Design
From Multimodal Virtual Cells to Experimental Decisions

I build AI methods that turn multimodal perturbation data into better experimental decisions. My research connects reliable measurement, cellular response modeling, and intervention design to identify which biological effects we can predict and which interventions are worth testing.

2 first-author papers in Nature Communications PhenoProfiler ↗SpaIM ↗ 569 citations · h-index 13 Google Scholar ↗
University of Macau (advisor Bob Zhang; co-advisor Qianqian Song, Purdue) Visiting NUS (host Yang Zhang)
Seeking Fall 2027 postdoctoral opportunities in AI for Biology, virtual cells, measurement-aware evaluation, and intervention design.

News

2026.09 🎯 Released VCDesign, a framework for finite-budget intervention design in virtual cells. Project · Code
2026.09 🧬 Released PertResolve for measurement-aware perturbation evaluation. Project · Code
2026.09 💊 Released DrugDis, a component-resolved framework for interpreting general and context-specific drug-response prediction. Project · Code · Data
2026.08–09 📘 Three collaborative papers published: incomplete multi-view multi-label learning in IJCV and IEEE TPAMI, and PSSD for histology-to-gene-expression prediction in Bioinformatics.
2026.06 🇸🇬 Started a one-year visit to the National University of Singapore, hosted by Prof. Yang Zhang.
2026.05 🤖 CellScientist preprint released on arXiv (co-author).
2026.04 🧫 MVCBench preprint released on bioRxiv.
2026.01 🎉 One paper accepted at ICLR 2026 (co-author).
2025.12 🎉 PhenoProfiler published in Nature Communications.
2025.12 🧬 Collaborative spatial-omics paper HAST published in Communications Biology.
2025.08 🧬 SpaIM published in Nature Communications.
Earlier news (2024)
2024.10 📄 HGGEP published in Briefings in Bioinformatics.
2024.08 🧬 Collaborative paper AntiFormer published in Briefings in Bioinformatics for antibody binding-affinity prediction.
2024.08 🎓 Started my Ph.D. at the University of Macau.
2024.07 🏅 Graduated from Beijing University of Technology as a Top 100 Graduate and Beijing Outstanding Graduate.
2024.03–06 🔬 Published MHFAN, Lite-UNet, and EDTM across Pattern Recognition and EAAI.

Research

01 · MEASURE

What biological distinctions and predictive capabilities can we reliably evaluate?

Determine what biological distinctions experiments can reproducibly resolve and what response structure predictive models actually recover. Separate measurement limits, aggregate performance, and context-specific recovery before interpreting benchmark results.

02 · MODEL

What biological information transfers across modalities and contexts?

Learn and evaluate cellular representations across transcriptomic, morphological, spatial, and perturbational measurements, with an emphasis on what information remains useful under biological and experimental shifts.

03 · DESIGN
Current focus

Which experiments are worth performing next?

Formulate intervention design as a finite-budget decision problem: rank feasible interventions toward a biological objective and evaluate the selected experiments using independently measured outcomes.

Toward adaptive intervention selection and prospective experimental feedback.
Next direction

Adaptive intervention design: connect virtual-cell models and scientific agents with independent experimental feedback, so each round of experiments informs the next.

Selected Publications

† Equal contribution  ·  * Corresponding author

Published

MODEL · Cellular Representation
PhenoProfiler: end-to-end phenotypic profiling of high-content cell images

PhenoProfiler: Advancing Phenotypic Learning for Image-based Drug Discovery

Bo Li, Bob Zhang*, Chengyang Zhang, Minghao Zhou, Weiliang Huang, Shihang Wang, Qing Wang, Mengran Li, Yong Zhang, Qianqian Song*

Nature Communications 17, 793 (2026)  ·  Paper  ·  Webserver  ·  Code  ·  arXiv  · 

TL;DR: Learns cellular representations directly from high-content microscopy for phenotypic profiling and drug discovery, connecting image-derived features to biological differences between diverse cellular perturbations.

MODEL · Multimodal Biology
SpaIM: style-transfer imputation for single-cell spatial transcriptomics

SpaIM: Single-cell Spatial Transcriptomics Imputation via Style Transfer

Bo Li†, Ziyang Tang†, Aishwarya Budhkar, Xiang Liu, Tonglin Zhang, Baijian Yang*, Jing Su*, Qianqian Song*

Nature Communications 16, 7861 (2025)  ·  Paper  ·  Code  ·  Data  · 

TL;DR: Integrates single-cell and spatial transcriptomics through style-transfer imputation, predicting spatial gene-expression patterns to connect complementary measurements of cellular identity and tissue organization.

Current work · preprints and manuscripts

DESIGN · Intervention Design
VCDesign: finite-budget intervention design for virtual cells

VCDesign: Finite-Budget Intervention Design for Virtual Cells

Bo Li†, Lin Wang†, Bob Zhang*, Mengran Li, Zhenchao Tang, Chengyang Zhang, Minghao Sun, Chengliang Liu, Zhiyuan Liu, Yang Zhang*

Manuscript 2026  ·  Project  ·  Manuscript  ·  Code  ·  Data  · 

TL;DR: Ranks feasible interventions under a limited experimental budget, using historical perturbation data and biological knowledge to prioritize response-unseen candidates. Evaluates the selected experiments against independently measured outcomes.

MEASURE · Measurement-aware Evaluation
PertResolve: measurement resolution for fine-grained perturbation prediction

Measurement resolution constrains fine-grained perturbation prediction

Bo Li†, Chengyang Zhang†, Mengran Li†, Bob Zhang*, Lin Wang, Zhenchao Tang, Jun Liu, Chengliang Liu, Chen Wei, Yuhao Yi*, Jiancheng Lv, Yang Zhang*

Manuscript 2026  ·  Project  ·  Manuscript  ·  Code  ·  Data  · 

TL;DR: Separates measurement limits from modeling limits by testing whether experiments can reproducibly distinguish fine-grained perturbation effects, and whether predictive models recover those distinctions rather than only shared response patterns.

MEASURE · Component-resolved Evaluation
DrugDis: disentangling general and context-specific effects in drug-response prediction

DrugDis: Disentangling general and context-specific effects in drug-response prediction

Bo Li†, Chengliang Liu†, Yuzhong Peng†, Bob Zhang*, Qing Wang, Pinxian Zeng, Mengran Li, Shenghui Huang, Chuxia Deng*, Yang Zhang*

Manuscript 2026  ·  Project  ·  Manuscript  ·  Supplement  ·  Code  ·  Data  · 

TL;DR: Separates general drug and sample effects from context-specific interactions, revealing what drives aggregate prediction accuracy and whether model improvements recover the response components needed for biological interpretation.

MODEL · Virtual Cell Generalization
MVCBench: benchmarking drug-molecular and gene representations for drug-induced virtual cell phenotypes

MVCBench: A Multimodal Benchmark for Drug-induced Virtual Cell Phenotypes

Bo Li†, Qing Wang†, Shihang Wang†, Bob Zhang*, Yuzhong Peng, Pinxian Zeng, Chengliang Liu, Mengran Li, Ziyang Tang, Xiaojun Yao, Chuxia Deng, Qianqian Song*

bioRxiv 2026  ·  Project  ·  Preprint  ·  Code  ·  Data  · 

TL;DR: Benchmarks molecular and cellular representations for drug-induced transcriptomic and morphological responses, testing which predictive gains persist across compounds, cell lines, experimental batches, and datasets.

Full publication record on Google Scholar ↗

Software & Resources

Selected research software and community resources.

Project What it is Stars
VCDesign Finite-budget intervention ranking and decision-aligned evaluation for virtual cells 4
PertResolve Measurement-aware evaluation framework for interpreting perturbation-prediction performance 3
DrugDis Component-resolved evaluation of general and context-specific drug-response prediction 1
MVCBench Multimodal benchmark for virtual-cell representation and generalization 10
PhenoProfiler End-to-end phenotypic representation learning for high-content cell imaging 11
Awesome-Virtual-Cell Curated literature, datasets, benchmarks, and resources for virtual-cell research 323
Nature-Paper-Skills Agent skills for scientific manuscript drafting, revision, auditing, and resubmission 578
SpaIM Cross-modal modeling for spatial transcriptomics imputation 24

Stars as of Oct 13, 2026 · Links open current GitHub counts.

Education

  • 2026.06 – 2027.06: National University of Singapore

    - Visiting Student. Host: Prof. Yang Zhang

  • 2024.08 – Present: University of Macau

    - Ph.D. in Computer Science, Department of Artificial Intelligence, Full Scholarship. Advisor: Prof. Bob Zhang; Co-advisor: Prof. Qianqian Song, Purdue University

  • 2021.09 – 2024.07: Beijing University of Technology

    - M.Eng. in Electronic Information. Advisors: Prof. Yong Zhang, Prof. Baocai Yin

  • 2017.09 – 2021.07: Beijing Information Science & Technology University

    - B.Eng. in Robotics Engineering. Advisor: Prof. Hongbo Huang

Selected Honors & Awards

  • 2024: Ph.D. Scholarship, University of Macau
  • 2024.07: Top 100 Graduates of BJUT (Top 100 / 6331)
  • 2024.07 & 2021.07: Beijing Outstanding Graduate
  • 2023.10: Xiaomi Scholarship
  • 2022.10: National Scholarship
  • 2021: First Prize, Science & Technology Innovation Scholarship, BISTU

Patents

Co-inventor of three Chinese invention patents on cell image density map generation and cell localization: CN115457546A, CN115810046A, CN115457547A.

Academic Service

Journal reviewer: Science Advances, IEEE TPAMI, IEEE TIP, IEEE TNNLS, Medical Image Analysis, Bioinformatics, Briefings in Bioinformatics, Pattern Recognition, BMC Biology, Engineering Applications of Artificial Intelligence, and Expert Systems with Applications.

Collaborations: Purdue University, Cornell University, University of Florida, National University of Singapore, Sun Yat-sen University, Sichuan University, Beijing University of Technology, and Macao Polytechnic University.

Beijing Information Science & Technology University Beijing University of Technology University of Macau West China Hospital, Sichuan University National University of Singapore