AI for Science

Ask about this topic

Overview

AI for Science studies how computational methods can help researchers analyze data, build and test models, design experiments, and discover new explanations or materials. Approaches include scientific foundation models, retrieval and multi-agent systems, causal and symbolic methods, Bayesian optimization, and tools that connect AI to simulators, code, instruments, and high-performance computing. Benchmarks increasingly test scientific coding, image interpretation, simulator use, experimental design, and multi-step research workflows. AI often helps with well-specified tasks, but reliable open-ended discovery remains difficult: systems can make plausible errors, struggle with mechanistic reasoning, and need stronger verification, provenance, and evaluation against expert work.

Latest papers

CardsList

159 papers10 papers in the last four weeks, down 23% on the four weeks before. 0.1% of all new papers.

  1. AI for Science in Space: Orbital Laboratories, Planetary Fieldwork, and Embodied Autonomy

    Oct 29, 2026Zizhe Wang, Jia Deng, Xin Lu +4AI for ScienceAutonomous Experimentation

    Astroup Lab, Beijing, China · Harbin Institute of Technology, Beijing Research Institute · Peking University

  2. SCI-AGENT-EXAM: Benchmarking Agents on Scientific Research Tasks

    Oct 23, 2026Tianyun Zhong, Wei Wang, Jialin Li +17Scientific Agent BenchmarksLLM Agent Evaluation

    University of Chinese Academy of Sciences · Institute of Software, Chinese Academy of Sciences · AI Data, Alibaba Group +4

  3. ADAPT for Science: A Multi-Agent System for Self-Evolving Scientific Optimization

    Oct 22, 2026Zhaoran Feng, Yuchen Ni, Jianan Liu +3AI for ScienceSelf-Evolving Agents

    National Laboratory of Solid State Microstructures, School of Physics and, Collaborative Innovation Center of Advanced Microstructures,, Nanjing University, Nanjing 210093, China · Shanghai Innovation Institute, Shanghai 200231, China · College of Computer Science and Artificial Intelligence,, Fudan University, Shanghai 200433, China +2

  4. Framework for an AI-Ready ARPES Community Database

    Oct 11, 2026Zhi-Xun Shen, Jin Gene Wong, Karen Lei +41AI for Science

  5. VETNET: Assembling Benchmark Datasets for AI-Driven Veterinary Innovation

    Oct 9, 2026Katherine J. Koebel, Renata Ivanek, Parminder Basran +33AI for Science

    Department of Population Medicine and Diagnostic Sciences, College of Veterinary Medicine, Cornell University, Ithaca, NY, USA · Department of Clinical Sciences, College of Veterinary Medicine, Cornell University, Ithaca, NY, USA · Department of Computer Science, Cornell Ann S. Bowers College of Computing and Information Science, Cornell University, Ithaca, NY, USA +25

  6. OpenProblemBench: Benchmarking AI on Open Problems in the Foundational Theoretical Sciences

    Oct 8, 2026Zhiyi Li, Sihan Hu, Tianning Xiao +4AI for ScienceScientific Reasoning in Language Models

    Department of Modern Physics, University of Science and Technology of China, Hefei, Anhui 230026, China · CAS Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Sciences, Beijing 100190, China · Hefei National Laboratory, University of Science and Technology of China, Hefei 230088, China +3

  7. SciExam for ENSO: Can AI Agents Build Climate Models?

    Oct 7, 2026Yinling Zhang, Langchen Liu, Dongbin Xiu +4AI for ScienceAI Agent Benchmarks

    The Ohio State University · Yale University · University of California, San Diego +2

  8. ScienceClaw: Benchmarking Continual Self-Evolution of AI-for-Science Agents Across the Natural and Social Sciences

    Oct 6, 2026Mingda Zhang, Wenjin Liu, Tiesunlong Shen +6Scientific Agent BenchmarksSelf-Evolving Agents

    The Chinese University of Hong Kong, Shenzhen · Nanyang Technological University · Centre for Biomedical Data Science, Duke-NUS Medical School +2

  9. AutoSciBench: Autonomous Benchmark Generation for Evaluating Scientific Agents

    Oct 4, 2026Dongki Kim, Namkyeong Lee, Surag Nair +7AI for ScienceAI Agent Evaluation

    Genentech · KAIST

  10. OSWorld-Science: A Benchmark of Computer Use Agents for Learning and Using Scientific Software

    Sep 30, 2026Dingyuan Dai, Heli Qi, Lei Liu +28Computer-Use Agent BenchmarksAI for Science

    University of California, Los Angeles · RIKEN AIP · Yale University +12

  11. Searching for BSM Experimental Signatures with Large Lagrangian Models

    Sep 29, 2026Ibrahim Elsharkawy, Victoria Knapp-Perez, Wahid Bhimji +1AI for ScienceHigh-Energy Physics

    Department of Physics, University of Toronto and Vector Institute, Toronto, ON, Canada · NERSC, Lawrence Berkeley National Laboratory, Berkeley, California, USA · Department of Physics and Astronomy, University of California, Irvine, CA 92697 +3

  12. ASCEND: Personal AI Agents for Autonomous Scientific Computing Across HPC Clusters and GPU Workstations

    Sep 26, 2026J. Paul Liu, Uthpala Herath, Andrew PetersenAI for ScienceHigh-Performance Computing

    AI Hub for Science, College of Sciences, NC State University, Raleigh, NC · Research Computing and Support Services, Office of Information Technology, Duke University, Durham, NC · Office of Information Technology, NC State University, Raleigh, NC

  13. Artificial intelligences and human scientists exhibit complementary strengths in theory building

    Sep 26, 2026Ke Li, Spyros I. Zoumpoulis, Phanish Puranam +80AI for ScienceScientific Reasoning in Language Models

  14. PhyMo: A Physical-Field Modality for Multimodal AI4Physics

    Sep 23, 2026Henan Sun, Haitao Hu, Jin Liu +4AI for ScienceCross-Modal Representation Learning

    The Hong Kong University of Science and Technology (Guangzhou) · Huawei Noah’s Ark Lab · Tencent HY +1

  15. Beyond Natural Language: An Agent-Native Language for Autonomous Science

    Sep 21, 2026Yifeng He, Jiachen LiuAI for ScienceScientific Communication

    ARA Lab

  16. ScienceIDE: Turning World's Scientific Codebase into Agent Learnable Environments

    Sep 16, 2026Hejia Geng, Zesen Huang, Haoyang Li +42AI for Science

  17. PrimeScientist: Strategic Allocation of Research Effort in Autonomous Research

    Sep 15, 2026Xinle Yu, Fan Bai, Kaiser Sun +5AI for ScienceAutonomous Research Agents

    UC San Diego · Johns Hopkins University

  18. The AI-Enabled Scientific Frontier

    Sep 14, 2026Gabriel Manso, Emma Fu, Neil ThompsonAI for ScienceAI-Assisted Scientific Research

    1MIT CSAIL, MIT FutureTech

  19. ECAS: An Edge-Controlled Agentic System for Validation-Gated Scientific Application Execution

    Sep 13, 2026Baixi Sun, Mingze Xia, Huihuo ZhengScientific Workflow AutomationAI for Science

    Argonne National Laboratory, Lemont, IL, USA · Oregon State University, Corvallis, OR, USA

  20. AgentIdeaBench: Benchmarking Scientific Ideation in the Agent Era

    Sep 7, 2026Yunxiang Mo, Tianshi Zheng, Yisen Gao +7AI for ScienceAI Agent Evaluation

    Department of Computer Science and Engineering, HKUST, Hong Kong SAR, China · NVIDIA AI Technology Center (NVAITC), NVIDIA, Santa Clara, USA

  21. DianShi-RxnDB: A Large-Scale, Fine-Grained Organic Reaction Data Platform Built via a Fully Automated Pipeline for Researchers and AI Agents

    Sep 6, 2026Yubin Wang, Xingjian Wei, Jiang Wu +33Document Information ExtractionAI for Science

    Shanghai Artificial Intelligence Laboratory

  22. OpenDiscoveryTrace: Process Traces for Evaluating AI Scientist Workflows

    Sep 5, 2026Aayam Bansal, Keertan BalajiAI Agent BenchmarksAI for Science

  23. The convergent laboratory: when AI reasoning, autonomous experiments, high performance and quantum computing reshape chemistry

    Sep 4, 2026Eliu Huerta, Xiaoyun Wang, Geetika Gupta +7AI for ScienceAutonomous Experimentation

    Data Science and Learning Division, Argonne National Laboratory, Lemont, Illinois 60439, United States. · Department of Computer Science, The University of Chicago, Chicago, Illinois 60637, United States. · NVIDIA Corporation, 2788 San Tomas Expressway, Santa Clara, California 95051, USA. +8

  24. NS-Copilot: An LLM-Driven Agent System for Autonomous Neuroscience Analysis

    Sep 2, 2026Wuche Liu, Yiran Qiao, Linlin Hou +4Multi-Agent LLM SystemsAI for Science

    Department of Computer and Data Sciences, Case Western Reserve University, Cleveland, OH 44106, USA · Department of Mathematics and Statistics, University of West Florida, Pensacola, FL 32514, USA · Department of Computer Science, University of Central Florida, Orlando, FL 32816, USA

  25. Life Operators: a self-evolving framework for multiscale life modelling

    Aug 30, 2026Shuo Wang, Yike GuoAI for ScienceAI Agents for Scientific Discovery

    Digital Medical Research Center, Fudan University, Shanghai, China · Hong Kong University of Science and Technology, Hong Kong, China

  26. Scientific Agent Skills: A Library of Procedural Knowledge for Research Agents

    Aug 30, 2026Timothy Kassis, Vinayak Agarwal, Yuhuan He +2AI for ScienceLLM Agent Skill Retrieval

    K-Dense, Inc.

  27. Efficient Auto-Interpretability of AI Models in Biology

    Aug 27, 2026Piotr Jedryszek, Oliver M. CrookExplainability EvaluationAI for Science

    Department of Biology, University of Oxford, Oxford, UK · Evolvere Biosciences, London, UK · Kavli Institute for Nanoscience Discovery, University of Oxford, Oxford, UK +1

  28. Accelerating Scientific Research with Gemini in the Real-World

    Aug 27, 2026Samuel Schmidgall, Xiaokai Zhu, Marian Shaw +32AI for ScienceAutonomous Scientific Discovery

    Google DeepMind · Duke University · Columbia University +2

  29. SciMIF: Understanding Multimodal Instruction Following in Scientific Domains

    Aug 26, 2026Ye Shen, Yuting Zheng, Dun Pei +4Multimodal Model EvaluationMultimodal Large Language Models

    Shanghai Artificial Intelligence Laboratory · Shanghai Jiao Tong University

  30. BixBench3: Benchmarking AI agents on research-study-scale computational biology tasks

    Aug 26, 2026Zane Koch, Asmamaw T. Wassie, Javier Valdes-Aleman +5AI for ScienceAI Agent Benchmarks

    Edison Scientific, Inc., San Francisco, CA, USA