Title
The Discovery Engine: A Framework for AI-Driven Synthesis and Navigation of Scientific Knowledge Landscapes Vladimir Baulin Austin Cook Daniel Friedman Janna Lumiruusu Andrew Pashea Shagor Rahman Benedikt Waldeck 74 0 0 23 May 2025
GRAIL: Graph Edit Distance and Node Alignment Using LLM-Generated Code S. Verma Arushi Goyal Ananya Mathur Ankit Anand Sayan Ranu 23 1 0 04 May 2025
A Self-Improving Coding Agent Maxime Robeyns Martin Szummer Laurence Aitchison LLMAG 114 1 0 21 Apr 2025
Algorithm Discovery With LLMs: Evolutionary Search Meets Reinforcement Learning Anja Surina Amin Mansouri Lars Quaedvlieg Amal Seddas Maryna Viazovska Emmanuel Abbe Çağlar Gülçehre 94 3 0 07 Apr 2025
Towards Scientific Intelligence: A Survey of LLM-based Scientific Agents Shuo Ren Pu Jian Zhenjiang Ren Chunlin Leng Can Xie Jiajun Zhang LLMAG AI4CE 140 4 0 31 Mar 2025
Agentic AI for Scientific Discovery: A Survey of Progress, Challenges, and Future Directions Mourad Gridach Jay Nanavati Khaldoun Zine El Abidine Lenon Mendes Christina Mack 119 9 0 12 Mar 2025
Chemical reasoning in LLMs unlocks steerable synthesis planning and reaction mechanism elucidation Andres M Bran Theo A Neukomm Daniel Armstrong Zlatko Joncev Philippe Schwaller LRM 100 3 0 11 Mar 2025
Accelerating Earth Science Discovery via Multi-Agent LLM Systems Dmitrii Pantiukhin Boris Shapkin Ivan Kuznetsov Antonia Anna Jost Nikolay Koldunov AI4CE LLMAG 137 1 0 07 Mar 2025
Towards an AI co-scientist Juraj Gottweis W. Weng Alexander Daryin T. Tu Anil Palepu ... Gary Peltz Yunhan Xu Annalisa Pawlosky Alan Karthikesalingam Vivek Natarajan LLMAG 118 51 0 26 Feb 2025
LLM4SR: A Survey on Large Language Models for Scientific Research Ziming Luo Zonglin Yang Zexin Xu Wei Yang Xinya Du 73 23 0 08 Jan 2025
Formal Mathematical Reasoning: A New Frontier in AI Kaiyu Yang Gabriel Poesia Jingxuan He Wenda Li Kristin Lauter Swarat Chaudhuri Dawn Song LRM AI4CE 135 36 0 20 Dec 2024
Amplifying human performance in combinatorial competitive programming Petar Velickovic Alex Vitvitskyi Larisa Markeeva Borja Ibarz Lars Buesing Matej Balog Alexander Novikov 81 4 0 29 Nov 2024
Discovering emergent connections in quantum physics research via dynamic word embeddings Felix Frohnert Xuemei Gu Mario Krenn Evert P L van Nieuwenburg AI4CE 69 2 0 10 Nov 2024
MOOSE-Chem: Large Language Models for Rediscovering Unseen Chemistry Scientific Hypotheses Zonglin Yang Wanhao Liu Ben Gao Tong Xie You Li Wanli Ouyang Soujanya Poria Min Zhang Dongzhan Zhou LRM 109 25 0 09 Oct 2024
Multi-objective Evolution of Heuristic Using Large Language Model Shunyu Yao Fei Liu Xi Lin Zhichao Lu Zhenkun Wang Qingfu Zhang 65 12 0 25 Sep 2024
Symbolic Regression with a Learned Concept Library Arya Grayeli Atharva Sehgal Omar Costilla-Reyes Miles Cranmer Swarat Chaudhuri 95 15 0 14 Sep 2024
Efficient Evolutionary Search Over Chemical Space with Large Language Models Haorui Wang Marta Skreta C. Ser Wenhao Gao Lingkai Kong ... Yanqiao Zhu Yuanqi Du Alán Aspuru-Guzik Kirill Neklyudov Chao Zhang 122 19 0 23 Jun 2024
LLMatDesign: Autonomous Materials Discovery with Large Language Models Shuyi Jia Chao Zhang Victor Fung 93 13 0 19 Jun 2024
FunBO: Discovering Acquisition Functions for Bayesian Optimization with FunSearch Virginia Aglietti Ira Ktena Jessica Schrouff Eleni Sgouritsa Francisco J. R. Ruiz Alan Malek Alexis Bellot Silvia Chiappa 75 3 0 07 Jun 2024
LLM-SR: Scientific Equation Discovery via Programming with Large Language Models Parshin Shojaee Kazem Meidani Shashank Gupta A. Farimani Chandan K. Reddy 185 23 0 29 Apr 2024
CRISPR-GPT: An LLM Agent for Automated Design of Gene-Editing Experiments Kaixuan Huang Yuanhao Qu H. Cousins William A. Johnson Di Yin Mihir Shah Denny Zhou R. Altman Mengdi Wang Le Cong LLMAG 83 44 0 27 Apr 2024
Hypothesis Generation with Large Language Models Yangqiaoyu Zhou Haokun Liu Tejes Srivastava Hongyuan Mei Chenhao Tan LRM 84 41 0 05 Apr 2024
LLM Guided Evolution -- The Automation of Models Advancing Models Clint Morris Michael Jurado Jason Zutty 84 13 0 18 Mar 2024
Quantum Many-Body Physics Calculations with Large Language Models Haining Pan N. Mudur Will Taranto Maria Tikhanovskaya Subhashini Venugopalan Yasaman Bahri Michael P. Brenner Eun-Ah Kim 67 8 0 05 Mar 2024
Large Language Models As Evolution Strategies Robert Tjarko Lange Yingtao Tian Yujin Tang 60 35 0 28 Feb 2024
Quantum Circuit Optimization with AlphaTensor Francisco J. R. Ruiz Tuomas Laakkonen Johannes Bausch Matej Balog M. Barekatain ... Bernardino Romera-Paredes J. V. D. Wetering Alhussein Fawzi K. Meichanetzidis Pushmeet Kohli 48 25 0 22 Feb 2024
Are LLMs Ready for Real-World Materials Discovery? Santiago Miret N. M. A. Krishnan 90 34 0 07 Feb 2024
Evolving Code with A Large Language Model Erik Hemberg Stephen Moskal Una-May O’Reilly 70 29 0 13 Jan 2024
Evolution of Heuristics: Towards Efficient Automatic Algorithm Design Using Large Language Model Fei Liu Xialiang Tong Mingxuan Yuan Xi Lin Fu Luo Zhenkun Wang Zhichao Lu Qingfu Zhang VLM 111 80 0 04 Jan 2024
DrugAssist: A Large Language Model for Molecule Optimization Geyan Ye Xibao Cai Houtim Lai Xing Wang Junhong Huang Longyue Wang Wei Liu Xian Zeng 110 33 0 28 Dec 2023
A Survey on Hallucination in Large Language Models: Principles, Taxonomy, Challenges, and Open Questions Lei Huang Weijiang Yu Weitao Ma Weihong Zhong Zhangyin Feng ... Qianglong Chen Weihua Peng Xiaocheng Feng Bing Qin Ting Liu LRM HILM 140 910 0 09 Nov 2023
Learning to Decode the Surface Code with a Recurrent, Transformer-Based Neural Network Johannes Bausch Andrew W. Senior Francisco J. H. Heras Thomas Edlich Alex Davies ... C. Gidney Demis Hassabis Sergio Boixo Hartmut Neven Pushmeet Kohli 85 47 0 09 Oct 2023
An In-Context Learning Agent for Formal Theorem-Proving Amitayush Thakur George Tsoukalas Yeming Wen Jimmy Xin Swarat Chaudhuri LLMAG 72 33 0 06 Oct 2023
Promptbreeder: Self-Referential Self-Improvement Via Prompt Evolution Chrisantha Fernando Dylan Banarse Henryk Michalewski Simon Osindero Tim Rocktaschel LLMAG ReLM LRM 83 208 0 28 Sep 2023
Large Language Models for Automated Open-domain Scientific Hypotheses Discovery Zonglin Yang Xinya Du Junxian Li Jie Zheng Soujanya Poria Min Zhang LRM 86 57 0 06 Sep 2023
AutoGen: Enabling Next-Gen LLM Applications via Multi-Agent Conversation Qingyun Wu Gagan Bansal Jieyu Zhang Yiran Wu Beibin Li ... Jiale Liu Ahmed Hassan Awadallah Ryen W. White Doug Burger Chi Wang LLMAG AI4CE 109 391 0 16 Aug 2023
LeanDojo: Theorem Proving with Retrieval-Augmented Language Models Kaiyu Yang Aidan M. Swope Alex Gu Rahul Chalamala Peiyang Song Shixing Yu Saad Godil R. Prenger Anima Anandkumar RALM 113 245 0 27 Jun 2023
Evaluating Language Models for Mathematics through Interactions Katherine M. Collins Albert Q. Jiang Simon Frieder L. Wong Miri Zilka ... William Hart T. Gowers Wen-Ding Li Adrian Weller M. Jamnik 88 61 0 02 Jun 2023
SciMON: Scientific Inspiration Machines Optimized for Novelty Qingyun Wang Doug Downey Heng Ji Tom Hope LLMAG 123 81 0 23 May 2023
ChemCrow: Augmenting large-language models with chemistry tools Andres M Bran Sam Cox Oliver Schilter Carlo Baldassari Andrew D. White P. Schwaller LLMAG 128 393 0 11 Apr 2023
Reflexion: Language Agents with Verbal Reinforcement Learning Noah Shinn Federico Cassano Beck Labash A. Gopinath Karthik Narasimhan Shunyu Yao LLMAG KELM 135 1,320 0 20 Mar 2023
EvoPrompting: Language Models for Code-Level Neural Architecture Search Angelica Chen David Dohan David R. So VLM LRM 92 90 0 28 Feb 2023
Symbolic Discovery of Optimization Algorithms Xiangning Chen Chen Liang Da Huang Esteban Real Kaiyuan Wang ... Xuanyi Dong Thang Luong Cho-Jui Hsieh Yifeng Lu Quoc V. Le 161 377 0 13 Feb 2023
ReAct: Synergizing Reasoning and Acting in Language Models Shunyu Yao Jeffrey Zhao Dian Yu Nan Du Izhak Shafran Karthik Narasimhan Yuan Cao LLMAG ReLM LRM 450 2,976 0 06 Oct 2022
Evolution through Large Models Joel Lehman Jonathan Gordon Shawn Jain Kamal Ndousse Cathy Yeh Kenneth O. Stanley 80 93 0 17 Jun 2022
FlashAttention: Fast and Memory-Efficient Exact Attention with IO-Awareness Tri Dao Daniel Y. Fu Stefano Ermon Atri Rudra Christopher Ré VLM 256 2,285 0 27 May 2022
Evolving symbolic density functionals He Ma Arunachalam Narayanaswamy Patrick F. Riley Li Li 142 32 0 03 Mar 2022
Competition-Level Code Generation with AlphaCode Yujia Li David Choi Junyoung Chung Nate Kushman Julian Schrittwieser ... Esme Sutherland Robson Pushmeet Kohli Nando de Koray Kavukcuoglu Oriol Vinyals 148 1,425 0 08 Feb 2022
Attention Is All You Need Ashish Vaswani Noam M. Shazeer Niki Parmar Jakob Uszkoreit Llion Jones Aidan Gomez Lukasz Kaiser Illia Polosukhin 3DV 805 132,725 0 12 Jun 2017
Illuminating search spaces by mapping elites Jean-Baptiste Mouret Jeff Clune 89 735 0 20 Apr 2015