ICLR 2025 Past AgentsAI for scienceGenerative models

Towards Agentic AI for Science: Hypothesis Generation, Comprehension, Quantification, and Validation

ICLR 2025 Workshop AgenticAI

Submission deadline
Feb 24, 2025, 16:10 UTC
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Submission portal
OpenReview
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Auto-imported from the OpenReview venue record on 2026-06-10 — please verify and enrich (topics are keyword-guessed).

Accepted papers (31)

Fetched from OpenReview (v2) on 2026-06-10.

  1. A Simplified a priori Theory of Meaning; Nature Based AI 'First Principles'

    Marcus Abundis · PDF
  2. Agent S: An Open Agentic Framework that Uses Computers Like a Human

    Saaket Agashe, Jiuzhou Han, Shuyu Gan, Jiachen Yang, Ang Li, Xin Eric Wang · PDF
  3. Agentic AI for Scientific Discovery: A Survey of Progress, Challenges, and Future Directions

    Mourad Gridach, Jay Nanavati, Christina Mack, Khaldoun Zine El Abidine, Lenon Mendes · PDF
  4. AgenticHypothesis: A Survey on Hypothesis Generation Using LLM Systems

    Adib Bazgir, Rama chandra Praneeth Madugula, Yuwen Zhang · PDF
  5. APPA : Agentic Preformulation Pathway Assistant

    Julius Lange, Leonid Komissarov, Nicole Wyttenbach, Andrea Anelli · PDF
  6. AstroAgents: A Multi-Agent AI for Hypothesis Generation from Mass Spectrometry Data

    Daniel Saeedi, Denise K. Buckner, Jose C. Aponte, Amirali Aghazadeh · PDF
  7. Automatic Scientific Claims Verification with Pruned Evidence Graph

    Liri Fang, Dongqi Fu, Vetle I Torvik · PDF
  8. CMAT: A Multi-Agent Collaboration Tuning Framework for Enhancing Small Language Models

    梁学辰, Yangfan He, Meiling Tao, Yinghui Xia, Yijin Wang, Jianhui Wang, Kun Li, Jiayi Su, TIANYU SHI, Jun Wang, Yang Jingsong · PDF
  9. Dynamic Knowledge Integration in Multi-Agent Systems for Content Inference

    Atsushi Yamamoto, Takumi Iida, Taito Naruki, Akihiko Katagiri, Yudai Koike, Ryuta Shimogauchi, Kota Shimomura, Eri Onami, Koki Inoue, Osamu Ito · PDF
  10. Efficient Generation of Diverse Scientific Hypotheses through Stepwise Conceptual Concretization

    Yatima Kagurazaka, Keita Nishimoto, Shiro Takagi, Kimitaka Asatani, Ichiro Sakata · PDF
  11. Emerging Multi-AI Agent Framework for Autonomous Agentic AI Solution Optimization

    Kamer Ali Yuksel, Hassan Sawaf · PDF
  12. ENHANCING DIVERSITY AND NOVELTY IN TEXT GENERATION VIA MULTI-VIEW EMBEDDINGS

    Arash Lagzian, Srinivas Anumasa, Dianbo Liu · PDF
  13. Evaluation of a Robust Control System in Real-World Cable-Driven Parallel Robots

    Nurtdinov Damir, Aliaksei Korshuk, Alexei Kornaev, Alexander Maloletov · PDF
  14. Evolving RL: Discovering New Activation Functions using LLMs

    Kalyan Varma Nadimpalli, Shashank Reddy Chirra, Pradeep Varakantham, Stefan Bauer · PDF
  15. Federated Learning for Decentralized Scientific Collaboration: Privacy-Preserving Multi-Agent AI for Cross-Domain Research

    Sandeep Ravindra Tengali · PDF
  16. Game-Theoretic Multi-Agent Collaboration for AI-Driven Scientific Discovery

    Sandeep Ravindra Tengali · PDF
  17. HEP-JEPA: A foundation model for collider physics

    Jai Bardhan, Radhikesh Agrawal, Abhiram Tilak, Cyrin Neeraj, Subhadip Mitra · PDF
  18. Large Language Models Are Innate Crystal Structure Generators

    Jingru Gan, Peichen Zhong, Yuanqi Du, Yanqiao Zhu, Chenru Duan, Haorui Wang, Daniel Schwalbe-Koda, Carla P Gomes, Kristin Persson, Wei Wang · PDF
  19. Large Language Models powered Neural Solvers for Generalized Vehicle Routing Problems

    Cong Dao Tran, Quan Nguyen-Tri, Huynh Thi Thanh Binh, Hoang Thanh-Tung · PDF
  20. LLM AGENTS FOR LITERATURE TO CODE CONVERSION:CASE STUDY OF HEAT EXCHANGER DESIGN

    Sandeep Mishra, Vishal Sudam Jadhav, Shirish Karande, Venkataramana Runkana · PDF
  21. LLM-Augmented Chemical Synthesis and Design Decision Programs

    Haorui Wang, Jeff Guo, Lingkai Kong, Rampi Ramprasad, Philippe Schwaller, Yuanqi Du, Chao Zhang · PDF
  22. MDCROW: AUTOMATING MOLECULAR DYNAMICS WORKFLOWS WITH LARGE LANGUAGE MODELS

    Sam Cox, Quintina L. Campbell, Jorge Medina, Brittany Watterson, Andrew White · PDF
  23. META-LEARNING FOR SCIENTIFIC HYPOTHESIS GENERATION AND EXPERIMENTAL DESIGN

    Sandeep Ravindra Tengali · PDF
  24. ML-Bench: Evaluating Large Language Models and Agents for Machine Learning Tasks on Repository-Level Code

    Xiangru Tang, Yuliang Liu, Zefan Cai, Yanjun Shao, Junjie Lu, Yichi Zhang, Zexuan Deng, Helan Hu, Kaikai An, Ruijun Huang, Shuzheng Si, Chen Sheng, Haozhe Zhao, Liang Chen, Tianyu Liu, Yujia Qin, Wangchunshu Zhou, Yilun Zhao, Zhiwei Jiang, Baobao Chang, Arman Cohan, Mark Gerstein · PDF
  25. ML-Dev-Bench: Comparative Analysis of AI Agents on ML development workflows

    Harshith Padigela, Chintan Shah, Dinkar Juyal · PDF
  26. MOOSE-Chem: Large Language Models for Rediscovering Unseen Chemistry Scientific Hypotheses

    Zonglin Yang, Wanhao Liu, Ben Gao, Tong Xie, Yuqiang Li, Wanli Ouyang, Soujanya Poria, Erik Cambria, Dongzhan Zhou · PDF
  27. Neural Nonmyopic Bayesian Optimization in Dynamic Cost Settings

    Sang T. Truong, Duc Quang Nguyen, Willie Neiswanger, Ryan-Rhys Griffiths, Stefano Ermon, Nick Haber, Sanmi Koyejo · PDF
  28. Orchestrating Tool Ecosystem of Drug Discovery with Intention-Aware LLM Agents

    Mingyu Derek Ma, Karina Zadorozhny, Jesse Swanson, Nathan C. Frey, Keunwoo Choi, Maksim Eremeev, Sabrina J Mielke, Wenmo Sun, Melody Liu, Jonathan Wickes, Vladimir Gligorijevic, Richard Bonneau, Henri Dwyer, Kyunghyun Cho, Stephen Ra · PDF
  29. Performant LLM Agentic Framework for Conversational AI

    Alex Casella, Wayne Wang · PDF
  30. ProteinHypothesis: A Physics-Aware Chain of Multi-Agent RAG LLM for Hypothesis Generation in Protein Science

    Adib Bazgir, Rama chandra Praneeth Madugula, Yuwen Zhang · PDF
  31. Sara: Screening Agents for Rheumatoid Arthritis

    Umakanta Maharana, Sarthak Verma, Avarna Agarwal, Prakashini Mruthyunjaya, Sakir Ahmed, Murari Mandal · PDF