mlsanityData to 14 Oct 2026

CellForge: Agentic Design of Virtual Cell Models

arXiv 2508.02276 ↗First posted 4 Aug 2025cs.LG cs.AI cs.CLcited by 13

On the map: LLM agents and tool use → Medical and scientific domain agents

Abstract (arXiv)

Autonomous agents, from virtual laboratories to biological data-analysis agents and co-scientists, have begun to turn scientific goals into hypotheses. Whether they can go further and convert real, noisy and complex biological data into executable model hypotheses and architectures that encode testable assumptions remains unclear. Predicting how cells respond to genetic and chemical perturbations is a natural test of this ability: it is central to decoding disease mechanisms and therapeutic discovery, yet it demands cross-disciplinary expertise rarely concentrated in a single research group. Here, we introduce CellForge, an organized team of autonomous agents for single-cell perturbation modeling. Given a dataset and a task, it surveys the literature, parses the data, identifies relevant baselines, and formulates a model hypothesis through critic-mediated discussion among agents specialized in data modeling, single-cell biology, and deep learning. It then writes the training code, runs the experiments, and returns a trained predictor including architecture, code, and validation results. The architecture itself is the hypothesis: CellForge produces it end-to-end, with no human specifying the design, loss, or training protocol. Across six perturbation datasets spanning transcriptomic, epigenomic, and proteomic contexts, CellForge yields models that are competitive with hand-crafted state-of-the-art results on established tasks and extends the same workflow to paired multi-omic readouts. Blinded human evaluators rate CellForge's research plans as more scientifically sound and innovative than those from single LLMs or deep-research systems. In summary, we show autonomous agents can complete the full hypothesis-to-validation cycle in single-cell biology, with an AI effectively building another AI, in a complex setting that currently requires a team of human experts.

Key facts. Cited by 13 papers in the map (data through 14 Oct 2026). Placed in Medical and scientific domain agents, one of 16 directions in LLM agents and tool use. Builds on 37 of its 121 references that are in the map. First posted on arXiv 4 Aug 2025.

Builds on

37 of 121 references.

Closest ancestors · 2

Same direction, newest first

  1. 2025STELLA: Self-Evolving LLM Agent for Biomedical Research1 Jul
  2. 2024AtomAgents: Alloy design and discovery through physics-aware multi-modal multi-agent artificial intelligence13 Jul

Other references · 35

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  7. 2024ScienceAgentBench: Toward Rigorous Assessment of Language Agents for Data-Driven Scientific Discoverycited by 235
  8. 2024ResearchAgent: Iterative Research Idea Generation over Scientific Literature with Large Language Modelscited by 210
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  10. 2024DSBench: How Far Are Data Science Agents from Becoming Data Science Experts?cited by 125
  11. 2024RAGBench: Explainable Benchmark for Retrieval-Augmented Generation Systemscited by 117
  12. 2024DiscoveryBench: Towards Data-Driven Discovery with Large Language Modelscited by 109
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  10. 2025AI Idea Bench 2025: AI Research Idea Generation Benchmarkcited by 40
  11. 2025BioReason: Incentivizing Multimodal Biological Reasoning within a DNA-LLM Modelcited by 37
  12. 2025Curie: Toward Rigorous and Automated Scientific Experimentation with AI Agentscited by 33
  13. 2025Evaluating Sakana's AI Scientist: Bold Claims, Mixed Results, and a Promising Future?cited by 32
  14. 2024Evaluating LLMs' Divergent Thinking Capabilities for Scientific Idea Generation with Minimal Contextcited by 28
  15. 2024Literature Meets Data: A Synergistic Approach to Hypothesis Generationcited by 20
  16. 2024Benchmarking Transcriptomics Foundation Models for Perturbation Analysis : one PCA still rules them allcited by 19
  17. 2025IRIS: Interactive Research Ideation System for Accelerating Scientific Discoverycited by 19
  18. 2024AIGS: Generating Science from AI-Powered Automated Falsificationcited by 18
  19. 2025Sparks: Multi-Agent Artificial Intelligence Model Discovers Protein Design Principlescited by 17
  20. 2025Auto-Discovery-Bench: Diagnosing Structured State Tracking in Oracle-Guided Discoverycited by 16
  21. 2023MuSe-GNN: Learning Unified Gene Representation From Multimodal Biological Graph Datacited by 14
  22. 2025Scientific Hypothesis Generation and Validation: Methods, Datasets, and Future Directionscited by 9
  23. 2025GoAI: Enhancing AI Students' Learning Paths and Idea Generation via Graph of AI Ideascited by 6

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Citing papers per year: 2025: 3; 2026: 10.

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  1. 2026VCLMU: Mechanism-Centric Virtual Cell World Modeling for Perturbation Response
  2. 2025LLM4Cell: A Survey of Large Language and Agentic Models for Single-Cell Biology
  3. 2026Progressive Multi-Agent Reasoning for Biological Perturbation Prediction
  4. 2024CellAgent: An LLM-driven Multi-Agent Framework for Automated Single-cell Data Analysis
  5. 2025Cell-o1: Training LLMs to Solve Single-Cell Reasoning Puzzles with Reinforcement Learning
  6. 2026PertMind: Eliciting Emergent Biological Reasoning in LLM via Reinforcement Learning on Cellular Perturbation Data
  7. 2025SynthPert: Enhancing LLM Biological Reasoning via Synthetic Reasoning Traces for Cellular Perturbation Prediction
  8. 2026Towards Autonomous Mechanistic Reasoning in Virtual Cells