Predicting the answer to interventional ``what if'' questions --- the outcome of an action never taken --- requires a \emph{mechanistic}, causal model, not a curve fit; and learning such a model requires \emph{experiments}, because passive data leaves its mechanisms unidentified. Experiments are expensive, so the central problem is \emph{data efficiency}.
arXiv:2602. 18266v2 Announce Type: replace Abstract: Automated methods for discovering mechanistic simulator models from observational data offer a promising path toward accelerating scientific progress.
By Stefan Wahl, Raphaela Schenk, Ali Farnoud, Jakob H. Macke, Daniel Gedon
arXiv:2606. 29315v1 Announce Type: new Abstract: Large language models (LLMs) are increasingly used to take actions in the real world and support human decision-making, yet most agents rely on parametric knowledge, fixed post-training data, retrieval, or search.
By Abhranil Chandra, Sankaran Vaidyanathan, Utsav Dhanuka, Varun Gandhi, Scott Niekum
arXiv:2608. 15669v1 Announce Type: new Abstract: Scientific discovery often involves optimising expensive-to-evaluate objectives over vast, structured, and open-ended hypothesis spaces, such as molecules, protein sequences, and computer programs.
By Zhongwei Yu, Yan Song, Xue Yan, Anjie Liu, Xingyu Lu, Yihang Chen, Huichi Zhou, Siyuan Guo, Luoyang Sun, Sihan Chen, Xiangning Yu, Jun Wang
arXiv:2606. 17516v1 Announce Type: cross Abstract: Causal discovery from observational data remains challenging due to the need to recover directed structure and latent confounding without interventions.
By Patrick Bl\"obaum, Krishnakumar Balasubramanian, Shiva Prasad Kasiviswanathan
arXiv:2607. 13608v1 Announce Type: new Abstract: Automatic scientific discovery has long been a goal of computational scholars - a machine that can discover nature's secrets on its own, moving computational systems beyond data-fitting tools toward the generation and refinement of mechanistic models of the universe.
By David Krongauz, Arad Zulti, Eran Segal, Teddy Lazebnik
arXiv:2606. 29604v1 Announce Type: cross Abstract: We aim to discover diverse, generalizable perturbations of LLM internals that can surface hidden behavioral modes.
By Andrew Mack, Nina Panickssery, Alexander Matt Turner
arXiv:2608. 12036v1 Announce Type: new Abstract: AI models have achieved remarkable success across diverse domains, yet the mechanisms underlying their capabilities and the risks they may pose remain poorly understood.
By Mengru Wang, Junfeng Fang, Shuofei Qiao, Zhenqian Xu, Haoming Xu, Haoxiong Wang, Shumin Deng, Linyi Yang, Zhixiang Cui, Xin Xu, Yunzhi Yao, Buqiang Xu, Fei Shen, Haozhe Luo, Yunxiang Wei, Ningyu Zhang, Julian McAuley, Tat Seng Chua, Huajun Chen
arXiv:2607. 07379v1 Announce Type: new Abstract: In agentic scientific machine learning (SciML), large language model (LLM) agents can discover surrogate models and select one by an automated score, typically an error metric.
By Diab W. Abueidda, Bilal Ahmed, Panos Pantidis, Mostafa E. Mobasher
arXiv:2608. 04872v1 Announce Type: cross Abstract: Symbolic regression aims to discover closed-form equations from data, but existing LLM-guided methods often rely on a unified proposal loop that compresses heterogeneous search failures into a scalar score and a single prompt.
By Wenxiao Zhao, Dong Liu, Kaiyi Xu, Feng Liu, Zhen Zhao, Fei Ben, Shu Wang, Wenhao Li, Yingnian Wu, Fenghua Ling, Haobo Li, Lei Bai
arXiv:2606. 25039v1 Announce Type: new Abstract: Recovering governing Ordinary Differential Equations (ODEs) from data is a central challenge in modeling dynamical systems across scientific domains.
By Nikhil Abhyankar, Sha Li, Sanchit Kabra, Naren Ramakrishnan, Yulia Gel, Chandan K. Reddy
Automatic scientific discovery has long been a goal of computational scholars - a machine that can discover nature's secrets on its own, moving computational systems beyond data-fitting tools toward the generation and refinement of mechanistic models of the universe. Recent advances in symbolic regression (SR) and large-language-model (LLM)-based agents suggest that such systems can recover equations from data, incorporate domain priors, and automate parts of the research workflow.