AI for Science

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11 papers in the last four weeks, up 120% on the four weeks before. 0.1% of all new papers.

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Latest papers 117

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Benchmarking AI Agents for Addressing Scientific Challenges Across Scales
Jun 10, 2026Tianyu Liu, Allen Xin Wang, Antonia Panescu +30AI for Science AI Agent Evaluation
Yale University, CT, USA · The Pennsylvania State University, PA, USA · Northeastern University, MA, USA +7
On the Limits of LLM-as-Judge for Scientific Novelty Assessment
Jun 10, 2026Soumitra Sinhahajari, Navonil Majumder, Soujanya PoriaAI for Science LLM-as-a-Judge
DeCLaRe Lab, Nanyang Technological University
Notes2Skills: From Lab Notebooks to Certainty-Aware Scientific Agent Skills
Jun 10, 2026Shi Liu, Jiayao Chen, Chengwei Qin +3AI for Science Document Information Extraction
Southern University of Science and Technology, Shenzhen, China · Shenzhen Loop Area Institute, Shenzhen, China · The Hong Kong University of Science and Technology (Guangzhou), Guangzhou, China +1
AI Scientists Are Only as Good as Their Evidence: A Stratified Ablation of Proprietary Data and Reasoning Skills in Drug-Asset Valuation
Jun 8, 2026Yinan WangAI for Science AI-Assisted Decision Making
Noah AI Research
Twelve quick tips for designing AI-driven HPC workflows
Jun 5, 2026Jamie J. AlnasirAI for Science High-Performance Computing
Department of Computer Science Royal Holloway University of London Egham, England, UK
Discovering Multiscale Deep Formulas in Complex Systems via Neural-Guided Lambda Calculus
Jun 5, 2026Hanqiao Yu, Shusen Yang, Xuebin Ren +1AI for Science Symbolic Regression
National Engineering Laboratory for Big Data Analytics, Xi’an Jiaotong University, Xi’an, 710049, Shaanxi, China. · School of Mathematics and Statistics, Xi’an Jiaotong University, Xi’an, 710049, Shaanxi, China. · School of Computer Science and Technology, Faculty of Electronic and Information Engineering, Xi’an Jiaotong University, Xi’an, 710049, Shaanxi, China.
Towards World Models in Biomedical Research
Jun 4, 2026Guangyu Wang, Jingkun Yue, Siqi Zhang +19AI for Science World Model Learning
State Key Laboratory of Networking and Switching Technology, Beijing University of Posts and Telecommunications, Beijing, China · Department of Engineering Science, University of Oxford, Oxford, United Kingdom · Institute of Medical Artificial Intelligence, South China Hospital, Medical School, Shenzhen University, Shenzhen, Guangdong, China +8
Simulate, Reason, Decide: Scientific Reasoning with LLMs for Simulation-Driven Decision Making
Jun 3, 2026Yuhan Yang, Ruipu Li, Alexander RodríguezAI for Science Neuro-Symbolic Reasoning
Computer Science and Engineering University of Michigan
Reasoning4Sciences: Bridging Reasoning Language Models to All Scientific Branches
May 31, 2026Teddy Ferdinan, Bartłomiej Koptyra, Mikołaj Langner +42AI for Science Scientific Reasoning
I-WebGenBench : Evaluating Interactivity in LLM-Generated Scientific Web Applications
May 30, 2026Dasen Dai, Biao Wu, Meng Fang +2AI for Science Web Application Generation
1Vast Intelligence Lab · 2UTS · University of Liverpool
21cmEMUv3: a hybrid diffusion-LSTM emulator of 21cmFAST summary observables
May 29, 2026Daniela Breitman, Andrei Mesinger, Steven G. Murray +2Simulation-Based Inference AI for Science
Research Center for the Early Universe, Graduate School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-0033, Japan · Department of Physics, Graduate School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 133-0033, Japan · Scuola Normale Superiore (SNS), Piazza dei Cavalieri 7, Pisa, PI, 56125, Italy +7
Physics Is All You Need? A Case Study in Physicist-Supervised AI Development of Scientific Software
May 28, 2026Nhat-Minh NguyenAI for Science AI Coding Agents
Kavli IPMU (WPI), UTIAS, The University of Tokyo, 5-1-5 Kashiwanoha, Kashiwa, Chiba 277-8583, Japan · Center for Data-Driven Discovery, Kavli IPMU (WPI), UTIAS, The University of Tokyo, Kashiwa, Chiba 277-8583, Japan · Institute For Interdisciplinary Research in Science and Education, ICISE, Quy Nhon, 55121, Vietnam
SoundnessBench: Can Your AI Scientist Really Tell Good Research Ideas from Bad Ones?
May 28, 2026Sy-Tuyen Ho, Minghui Liu, Huy Nghiem +1AI for Science LLM Evaluation
University of Maryland, College Park
DeepSurvey: Agent-Oriented Automated Survey Generation with Analytical Depth and Citation Reliability
May 28, 2026Ziyue Yang, Da Ma, Hanqi Li +8AI for Science AI Agents for Scientific Discovery
X-LANCE Lab, School of Computer Science, Shanghai Jiao Tong University, Shanghai, China · Suzhou Laboratory, Suzhou, China · Shanghai Innovation Institution, Shanghai, China +1
SciIntBench: Measuring LLM Compliance with Research Integrity Norms Under Adversarial Framing
May 28, 2026Almene De Meran Meguimtsop, Maria Leonor Pacheco, Daniel E. AcunaAI for Science Adversarial Attacks on LLMs
Department of Computer Science, University of Colorado Boulder, Boulder, CO 80309
BEAMS: Benchmarking and Evaluating AI for Modeling and Simulation
May 27, 2026Sara Metcalf, William SchoenbergAI for Science Human-in-the-Loop AI
ISEE Systems
Experiments in Agentic AI for Science
May 25, 2026Judy Fox, Geoffrey FoxDocument Understanding AI for Science
School of Data Science, Department of Computer Science, and Biocomplexity Institute, University of Virginia, Charlottesville, VA, USA.
Position: AI for Science Should Treat Measurement-to-Dataset Pipelines as Inference Components
May 23, 2026Ling Zhan, Xiaoyao Yu, Tao JiaAI for Science Uncertainty Quantification
College of Computer and Information Science, Southwest University, Chongqing, China · Chongqing Key Laboratory of Brain-Inspired Cognitive Computing and Educational Rehabilitation for Children with Special Needs, Chongqing Normal University, Chongqing, China · College of Computer and Information Science, Chongqing Normal University, Chongqing, China
The physics of AI weather models
May 22, 2026George Craig, Tobias Selz, Matthias Beylich +1AI for Science Representational Similarity Analysis
Meteorological Institute, LMU Munich · Karlsruhe Institute of Technology
Cross-domain benchmarks reveal when coordinated AI agents improve scientific inference from partial evidence
May 21, 2026Fiona Y. Wong, Markus J. BuehlerAI for Science Multi-Agent Coordination
Laboratory for Atomistic and Molecular Mechanics (LAMM) · Department of Biological Engineering · Department of Mechanical Engineering +2
LABO: LLM-Accelerated Bayesian Optimization through Broad Exploration and Selective Experimentation
May 21, 2026Zhuo Chen, Xinzhe Yuan, Jianshu Zhang +8AI for Science Bayesian Optimization
equal contribution · Shanghai Artificial Intelligence Laboratory, Shanghai, China · School of Mechanical Engineering, Shanghai Jiao Tong University, Shanghai, China +7
Artificial Intelligence Reshapes Microwave Photonics
May 20, 2026Peng Li, Xihua Zou, Jia Ye +2AI for Science
Center for Information Photonics and Communications, School of Information Science and Technology, Southwest Jiaotong University, Chengdu 611756, China · Key Laboratory of Photonic-Electronic Integration and Communication-Sensing Convergence, Southwest Jiaotong University, Chengdu 611756, China
SciCustom: A Framework for Custom Evaluation of Scientific Capabilities in Large Language Models
May 19, 2026Yiyang Gu, Junwei Yang, Junyu Luo +15AI for Science LLM Evaluation
State Key Laboratory for Multimedia Information Processing, School of Computer Science, PKU-Anker LLM Lab, Peking University · IDEA · Zhongguancun Academy +5
SCICONVBENCH: Benchmarking LLMs on Multi-Turn Clarification for Task Formulation in Computational Science
May 18, 2026Nithin Somasekharan, Youssef Hassan, Shiyao Lin +5AI for Science LLM Evaluation
Rensselaer Polytechnic Institute Troy, NY · University of Texas at Arlington Arlington, TX · Pacific Northwest National Laboratory Richland, WA +1
KISS - Knowledge Infrastructure for Scientific Simulation: A Scaffolding for Agentic Earth Science
May 18, 2026Ziwei Li, Liujun Zhu, Yuchen Liu +5AI for Science
State Key Laboratory of Water Disaster Prevention, Hohai University, Nanjing 210098, China · Yangtze Institute for Conservation and Development, Hohai University, Nanjing 210098, China · Meta Platforms Inc. +3
From Simulation to Discovery: AI Enabled Probabilistic Emulation of Mechanistic Crop Systems
May 15, 2026Mojdeh Saadati, Juan Panelo, Gustavo Visentini +3Neural Surrogate Modeling AI for Science
Department of Mathematics and Department of Computer Science, Iowa State University, Ames, IA, USA. · Department of Horticultural Sciences, University of Florida, Gainesville, FL, USA. · Department of Mechanical Engineering, and Translational AI Center, Iowa State University, Ames, IA, USA.
XDomainBench: Diagnosing Reasoning Collapse in High-Dimensional Scientific Knowledge Composition
May 14, 2026Gong Zhiren, Tiantong Wu, Jiaming Zhang +9AI for Science LLM Evaluation
College of Computing and Data Science, Nanyang Technological University, Singapore · Interdisciplinary Graduate Programme, Nanyang Technological University, Singapore · Department of Mathematics and Mathematical Statistics, Umeå University, Sweden +2
Earth Science Foundation Models: From Perception to Reasoning and Discovery
May 9, 2026Xiangyu Zhao, Bo Liu, Yuehan Zhang +9AI for Science Geospatial Foundation Models
Shanghai Artificial Intelligence Laboratory, Shanghai, China
Physical Simulators as Do-Operators: Causal Discovery under Latent Confounders for AI-for-Science
May 8, 2026Tsuyoshi OkitaAI for Science Causal Discovery
Kyushu Institute of Technology
FAME: Forecasting Academic Impact via Continuous-Time Manifold Evolution
May 8, 2026Jianrong Ding, Jianyuan Zhong, Zhengyan Shi +1AI for Science LLM Evaluation
Department of Computer Science and Engineering The Chinese University of Hong Kong

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Benchmarking AI Agents for Addressing Scientific Challenges Across Scales

Tianyu Liu, Allen Xin Wang, Antonia Panescu, Lisa Xinyi Chen+29

Yale University, CT, USA · The Pennsylvania State University, PA, USA · Northeastern University, MA, USA+7

AI for Science AI Agent Evaluation AI Agent Benchmarks Autonomous Scientific Discovery

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AI agents are increasingly being developed to accelerate scientific discovery, yet their practical capabilities in real research settings remain poorly understood. Existing benchmarks for AI agents rarely capture the complexity, heterogeneity, and extended reasoning required by scientific work, whereas benchmarks for scientific tasks often reduce research to static, direct problems and provide limited support for interactive evaluation. Here, we introduce SciAgentArena, a systematic benchmark for evaluating AI agents in real-world scientific research scenarios drawn from emerging needs across multiple domains. SciAgentArena comprises approximately 200 tasks with stepwise verification and an interactive, agent-agnostic environment for assessing diverse AI agents. Using this benchmark, we find that current agents can contribute effectively to well-specified data-analysis workflows, particularly when the task structure and evaluation criteria are clear. However, their performance remains uneven across scientific contexts: agents struggle to generate genuinely novel insights, sustain self-directed exploration, and formulate robust solutions for open-ended research questions. We further characterize common failure modes across agents and identify opportunities for improving their reliability, autonomy, and scientific reasoning. Together, SciAgentArena provides a practical framework for measuring progress in AI agents for science and for guiding the design of future agents capable of addressing complex scientific challenges. Full codes, tasks, and datasets can be accessed via this link: https://sciagentarena.github.io/.

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