CellForge: Agentic Design of Virtual Cell Models
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
- 2025STELLA: Self-Evolving LLM Agent for Biomedical Research1 Jul
- 2024AtomAgents: Alloy design and discovery through physics-aware multi-modal multi-agent artificial intelligence13 Jul
Other references · 35
- 2024A Survey on LLM-as-a-Judgecited by 1,423
- 2019PubMedQA: A Dataset for Biomedical Research Question Answeringcited by 1,288
- 2024The AI Scientist: Towards Fully Automated Open-Ended Scientific Discoverycited by 1,071
- 2024Large Language Model based Multi-Agents: A Survey of Progress and Challengescited by 769
- 2024LLMs-as-Judges: A Comprehensive Survey on LLM-based Evaluation Methodscited by 465
- 2024Can LLMs Generate Novel Research Ideas? A Large-Scale Human Study with 100+ NLP Researcherscited by 363
- 2024ScienceAgentBench: Toward Rigorous Assessment of Language Agents for Data-Driven Scientific Discoverycited by 235
- 2024ResearchAgent: Iterative Research Idea Generation over Scientific Literature with Large Language Modelscited by 210
- 2024Language agents achieve superhuman synthesis of scientific knowledgecited by 137
- 2024DSBench: How Far Are Data Science Agents from Becoming Data Science Experts?cited by 125
- 2024RAGBench: Explainable Benchmark for Retrieval-Augmented Generation Systemscited by 117
- 2024DiscoveryBench: Towards Data-Driven Discovery with Large Language Modelscited by 109
23 more
- 2025Towards Scientific Intelligence: A Survey of LLM-based Scientific Agentscited by 98
- 2025AgentRxiv: Towards Collaborative Autonomous Researchcited by 72
- 2024MLR-Copilot: Autonomous Machine Learning Research based on Large Language Models Agentscited by 67
- 2024Nova: An Iterative Planning and Search Approach to Enhance Novelty and Diversity of LLM Generated Ideascited by 57
- 2024xTrimoPGLM: Unified 100B-Scale Pre-trained Transformer for Deciphering the Language of Proteincited by 50
- 2025Automated Hypothesis Validation with Agentic Sequential Falsificationscited by 44
- 2024IdeaSynth: Iterative Research Idea Development Through Evolving and Composing Idea Facets with Literature-Grounded Feedbackcited by 42
- 2025Transforming Science with Large Language Models: A Survey on AI-assisted Scientific Discovery, Experimentation, Content Generation, and Evaluationcited by 42
- 2024Human-LLM Compound System for Scientific Ideation through Facet Recombination and Novelty Evaluationcited by 41
- 2025AI Idea Bench 2025: AI Research Idea Generation Benchmarkcited by 40
- 2025BioReason: Incentivizing Multimodal Biological Reasoning within a DNA-LLM Modelcited by 37
- 2025Curie: Toward Rigorous and Automated Scientific Experimentation with AI Agentscited by 33
- 2025Evaluating Sakana's AI Scientist: Bold Claims, Mixed Results, and a Promising Future?cited by 32
- 2024Evaluating LLMs' Divergent Thinking Capabilities for Scientific Idea Generation with Minimal Contextcited by 28
- 2024Literature Meets Data: A Synergistic Approach to Hypothesis Generationcited by 20
- 2024Benchmarking Transcriptomics Foundation Models for Perturbation Analysis : one PCA still rules them allcited by 19
- 2025IRIS: Interactive Research Ideation System for Accelerating Scientific Discoverycited by 19
- 2024AIGS: Generating Science from AI-Powered Automated Falsificationcited by 18
- 2025Sparks: Multi-Agent Artificial Intelligence Model Discovers Protein Design Principlescited by 17
- 2025Auto-Discovery-Bench: Diagnosing Structured State Tracking in Oracle-Guided Discoverycited by 16
- 2023MuSe-GNN: Learning Unified Gene Representation From Multimodal Biological Graph Datacited by 14
- 2025Scientific Hypothesis Generation and Validation: Methods, Datasets, and Future Directionscited by 9
- 2025GoAI: Enhancing AI Students' Learning Paths and Idea Generation via Graph of AI Ideascited by 6
Built on by
Citing papers per year: 2025: 3; 2026: 10.
13 papers.
Sort:
By area:
- 2025MIRA: Multimodal Iterative Reasoning Agent for Image Editingcited by 17
- 2026Benchmarking AI Agents for Addressing Scientific Challenges Across Scalescited by 12
- 2026MementoGUI: Learning Agentic Multimodal Memory Control for Long-Horizon GUI Agentscited by 11
- 2026LatentChem: From Textual CoT to Latent Thinking in Chemical Reasoningcited by 8
- 2025VCWorld: A Biological World Model for Virtual Cell Simulationcited by 6
- 2025TusoAI: Agentic Optimization for Scientific Methodscited by 4
- 2026HarmonyCell: Automating Single-Cell Perturbation Modeling under Semantic and Distribution Shiftscited by 4
- 2026SciMDR: Advancing Scientific Multimodal Document Reasoningcited by 2
- 2026CellScientist: From Execution Feedback to Auditable Model-Revision Trajectories for Cellular Perturbation Predictioncited by 1
- 2026AgentFold: Closed-Loop Agentic Search for Protein Folding Model Designcited by 1
- 2026AblateCell: A Reproduce-then-Ablate Agent for Virtual Cell Repositoriescited by 0
- 2026Knowledge Graphs and Reasoning LLMs for Finding Simple Yet Effective Transcriptomic Perturbation Predictorscited by 0
- 2026Discover, Falsify, Revise: Auditing Input-Use Claims from Source Code to Predictive Contribution in Agent-Discovered Cell Models23 Sep 2026
- 2026AgentFold: Closed-Loop Agentic Search for Protein Folding Model Design27 Aug 2026
- 2026Benchmarking AI Agents for Addressing Scientific Challenges Across Scales10 Jun 2026
- 2026Knowledge Graphs and Reasoning LLMs for Finding Simple Yet Effective Transcriptomic Perturbation Predictors7 Jun 2026
- 2026MementoGUI: Learning Agentic Multimodal Memory Control for Long-Horizon GUI Agents18 May 2026
- 2026CellScientist: From Execution Feedback to Auditable Model-Revision Trajectories for Cellular Perturbation Prediction8 May 2026
- 2026AblateCell: A Reproduce-then-Ablate Agent for Virtual Cell Repositories21 Apr 2026
- 2026SciMDR: Advancing Scientific Multimodal Document Reasoning12 Mar 2026
- 2026HarmonyCell: Automating Single-Cell Perturbation Modeling under Semantic and Distribution Shifts2 Mar 2026
- 2026LatentChem: From Textual CoT to Latent Thinking in Chemical Reasoning6 Feb 2026
- 2025VCWorld: A Biological World Model for Virtual Cell Simulation29 Nov 2025
- 2025MIRA: Multimodal Iterative Reasoning Agent for Image Editing26 Nov 2025
1 more
- 2025TusoAI: Agentic Optimization for Scientific Methods28 Sep 2025
- 2026MementoGUI: Learning Agentic Multimodal Memory Control for Long-Horizon GUI Agentscited by 11
- 2025TusoAI: Agentic Optimization for Scientific Methodscited by 4
- 2026AgentFold: Closed-Loop Agentic Search for Protein Folding Model Designcited by 1
- 2026Discover, Falsify, Revise: Auditing Input-Use Claims from Source Code to Predictive Contribution in Agent-Discovered Cell Modelscited by 0
- 2026Discover, Falsify, Revise: Auditing Input-Use Claims from Source Code to Predictive Contribution in Agent-Discovered Cell Models23 Sep 2026
- 2026AgentFold: Closed-Loop Agentic Search for Protein Folding Model Design27 Aug 2026
- 2026MementoGUI: Learning Agentic Multimodal Memory Control for Long-Horizon GUI Agents18 May 2026
- 2025TusoAI: Agentic Optimization for Scientific Methods28 Sep 2025
- 2025MIRA: Multimodal Iterative Reasoning Agent for Image Editingcited by 17
- 2026Benchmarking AI Agents for Addressing Scientific Challenges Across Scalescited by 12
- 2026HarmonyCell: Automating Single-Cell Perturbation Modeling under Semantic and Distribution Shiftscited by 4
- 2026SciMDR: Advancing Scientific Multimodal Document Reasoningcited by 2
- 2026CellScientist: From Execution Feedback to Auditable Model-Revision Trajectories for Cellular Perturbation Predictioncited by 1
- 2026AblateCell: A Reproduce-then-Ablate Agent for Virtual Cell Repositoriescited by 0
- 2026Benchmarking AI Agents for Addressing Scientific Challenges Across Scales10 Jun 2026
- 2026CellScientist: From Execution Feedback to Auditable Model-Revision Trajectories for Cellular Perturbation Prediction8 May 2026
- 2026AblateCell: A Reproduce-then-Ablate Agent for Virtual Cell Repositories21 Apr 2026
- 2026SciMDR: Advancing Scientific Multimodal Document Reasoning12 Mar 2026
- 2026HarmonyCell: Automating Single-Cell Perturbation Modeling under Semantic and Distribution Shifts2 Mar 2026
- 2025MIRA: Multimodal Iterative Reasoning Agent for Image Editing26 Nov 2025
Similar, not cited
Close in wording, no citation either way
- 2026VCLMU: Mechanism-Centric Virtual Cell World Modeling for Perturbation Response
- 2025LLM4Cell: A Survey of Large Language and Agentic Models for Single-Cell Biology
- 2026Progressive Multi-Agent Reasoning for Biological Perturbation Prediction
- 2024CellAgent: An LLM-driven Multi-Agent Framework for Automated Single-cell Data Analysis
- 2025Cell-o1: Training LLMs to Solve Single-Cell Reasoning Puzzles with Reinforcement Learning
- 2026PertMind: Eliciting Emergent Biological Reasoning in LLM via Reinforcement Learning on Cellular Perturbation Data
- 2025SynthPert: Enhancing LLM Biological Reasoning via Synthetic Reasoning Traces for Cellular Perturbation Prediction
- 2026Towards Autonomous Mechanistic Reasoning in Virtual Cells