arXiv AI

PRAISE: A Reproducible Workflow for Non-Programmer Scientists to Implement Published AI Models

arXiv AI
Sep 16

ScienceBuddy: Recursive-in-Recursive Self-Improvement for Interactive Scientific Agents

arXiv:2609.17523v1 Announce Type: new Abstract: We introduce and release ScienceBuddy, an interactive scientific research workspace that brings continually improving scientific agents into researcher...

By Shuhan Xue, Jianyuan Zhong, Ziyuan Nan, Wenbin Li, Zhaochen Yu, Jinchao Ding, Qiang Gao, Pengyu Zhan, Yuntong Zhang, Tian Cheng, Zhenfei Yin, Yingcheng Wu, Ling Yang
arXiv Machine Learning
Sep 2

Modelpedia: A Catalog of Model Findings for the Meta-Science of AI

Modelpedia is an automated, LLM-assisted framework that extracts and organizes findings about AI models from published papers into a searchable public catalog. It links each finding to the relevant model, dataset, method, and concept, and has already extracted over a thousand findings from ICLR 2024 and 2025 papers. The authors invite the community to explore, contribute to, and build on this open catalog, positioning model findings as a shared foundation for the meta‑science of AI.

By Franciszek Bernat (Centre for Credible AI, Warsaw University of Technology), Dawid P{\l}udowski (Centre for Credible AI, Warsaw University of Technology), Micha{\l} Jan W{\l}odarczyk (Centre for Credible AI, Warsaw University of Technology), Luca Longo (University College Cork), Jianlong Zhou (University of Technology Sydney), Andreas Holzinger (Human-Centered AI Lab), Riccardo Guidotti (University of Pisa, ISTI-CNR), Wojciech Samek (Technical University of Berlin, Berlin Institute for the Foundations of Learning and Data), Przemys{\l}aw Biecek (Centre for Credible AI, University of Warsaw)
arXiv AI
Sep 25

AI in Science: Early Insights

The paper "AI in Science: Early Insights" analyzes AI’s impact on scientific work using data from 15 million Gemini interactions, 2,600 specialized AI models, and a survey of 600 scientists. It finds widespread AI adoption, complementary use of large language models and specialized tools, significant productivity gains of about seven hours per week, and a shift in research bottlenecks toward hypothesis backlog and verification needs. The study suggests AI can boost scientific productivity but its full effect depends on addressing new downstream challenges.

By Mihai Codreanu, Alex Imas, Juan Mateos-Garcia, Joseph Emmens, Evalyne Muiruri, Arthur Turrell, Julian Jacobs, Atoosa Kasirzadeh, Ana Trisovic, Yiyuan Chen, Tanya Rodchenko, Catherine Pollard, Scott Strand, Daniel Rock, Zanna Iscenko, Fabien Curto Millet, Neil Thompson, James Manyika
arXiv AI
Oct 2

Atoms to Processes: The Role of Artificial Intelligence and Machine Learning in Chemical Engineering

The article discusses how the rapid development of artificial intelligence (AI) and machine learning (ML) is transforming chemical engineering by influencing problem formulation, analysis, and solution across a wide range of applications, from atomic-scale simulations to industrial operations. It highlights recent methodological advances and representative uses, noting a shift from purely black-box models to hybrid and physics-informed frameworks that incorporate conservation laws, thermodynamic consistency, and structural constraints. These integrated approaches enhance robustness, reliability, and human-AI collaboration, ultimately amplifying rather than replacing core chemical engineering principles.

By Michael Baldea, Linda J. Broadbelt, Marianthi G. Ierapetritou, Akhilesh Jain, Ankur Kumar, Thomas A. Kwan, F\`elix Llovell, Andrew J. Medford, Ilias Mitrai, Joel Paulson, Junyi Qiao, Matthew P. Rivera, Kirti C. Sahu, Lev Sarkisov, Zachary P. Smith, Calvin Tsay, Ching-Mei Wen, Victor M. Zavala, Huacheng Zhang, Dan Zhao
arXiv AI
Aug 20

Science Done on a Machine by a Machine: AI Agents in Computational Chemistry

The Perspective reviews the rapid growth of agentic AI systems in computational chemistry, noting an increase from a handful in 2024 to about fifty by August 2026. These systems are evolving from assisting with specific tasks to autonomously designing, executing, and analyzing in‑silico experiments, even drafting manuscripts. While fully autonomous AI scientists are not yet realized and human oversight remains, the trend toward commoditized generalist agents suggests a future where specialized systems may become obsolete, prompting reflection on the field’s direction and priorities.

By Pavlo O. Dral, Hassan Nawaz, Arif Ullah
arXiv AI
Sep 18

ScientistTwo: Pioneering the Human Knowledge Frontier with Autonomous AI

The paper introduces ScientistTwo, a fully autonomous multi‑agent framework that takes a scientific problem, establishes baselines, generates hypotheses, and coordinates specialized agents to conduct an end‑to‑end discovery cycle without human intervention. It rigorously tests and refines its methods through automated experiments, ablation studies, and a closed‑loop peer‑review engine. Benchmarking against top conferences (ICLR, ICML, NeurIPS) shows that ScientistTwo produces expert‑level, publishable papers and codebases that outperform human state‑of‑the‑art models and receive higher review ratings under automated AI review.

By Jaehyun Nam, Jinsung Yoon, Yanzhou Pan, Yubo Wang, Rui Meng, Parthasarathy Ranganathan, Tomas Pfister
arXiv AI
Jul 17

ReasFlow: Assisting Reasoning-Centric Scientific Discovery in Applied Mathematics via a Knowledge-Based Multi-Agent System

arXiv:2607. 14178v1 Announce Type: new Abstract: Recent advances in Large Language Models have fueled autonomous AI agents capable of tackling complex scientific tasks, yet existing automated research systems remain predominantly focused on empirically driven domains with quantitative benchmarks, leaving theory-driven discovery, particularly in mathematically grounded disciplines requiring rigorous proofs and synthesis of domain knowledge, largely underexplored.

By Yutong He, Daibo Li, Guohong Li, Jiahe Geng, Zhengyang Huang, Can Ren, Zekun Zhang, Yifan Liu, Shuchen Zhu, Hengrui Zhang, Boao Kong, Ming Sun, Shu Li, Chenyi Li, Jiang Hu, Kun Yuan, Zaiwen Wen, Pingwen Zhang