The paper introduces LLM-IDEA, an identifiability‑driven experimental agent that guides large language model scientists in closed‑loop discovery of mechanistic world models. It incorporates an identifiability engine that classifies experimental plateaus as capability limits, resolvable within the design class, or certified exhausted, and demonstrates its effectiveness on benchmarks such as ODEBench, DiscoverPhysics, and a custom Alien Universe testbed. The agent’s ability to distinguish when further experimentation is futile versus when new designs are needed improves the efficiency and reliability of autonomous scientific discovery.
By Surya Shetty, Ulisses Braga-Neto
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:2608. 09696v1 Announce Type: new Abstract: 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.
By Kevin Murphy
arXiv:2609.07611v1 Announce Type: new
Abstract: Scientific ideation is the capacity to formulate novel and testable hypotheses from scientific evidence, and autonomous AI scientists depend on it. Exi...
By Yunxiang Mo, Tianshi Zheng, Yisen Gao, Rui Wang, Newt Nguyen Kim Hue Nam, Kelvin Kiu Wai Tam, Jiaxin Bai, Yangqiu Song, Ginny Wong, Simon See
arXiv:2605.26087v2 Announce Type: replace-cross
Abstract: Frontier LLMs now perform strongly across a wide range of physics evaluations, but it is hard to disentangle genuine reasoning from recall of...
By Matt L. Wiemann, Lindsay M. Smith, Peter Melchior, Siddharth Mishra-Sharma, Andrew Gordon Wilson, Pavel Izmailov, Carolina Cuesta-L\'azaro
ULTRADISCOVERY is a benchmark that tests abductive exploration in an epistemically open, interconnected universe. It features five domains where agents must revise an initial theory and predict outcomes of unseen cross‑domain interventions, with a $2 imes 2$ design manipulating representation openness and evidence alignment. Experiments show that agents struggle to compose evidence into transferable representations, especially when the representation is open, and that even with aids exact predictions are rare without large budgets.
By Weihan Li, Tianshi Zheng, Yangqiu Song, Ginny Y. Wong, Simon See
arXiv:2608.30165v1 Announce Type: cross
Abstract: Scientific progress depends not only on finding solutions, but on learning the rules that explain why they work and using that understanding to desig...
By Arya S. Rao, Rodrigo I. Castro, Sager J. Gosai, Kenneth B. Hsu, Yasha Ektefaie, Shantanu Singh, Sangeeta N. Bhatia, Steven K. Reilly, Ryan Tewhey, Eric S. Lander, Pardis C. Sabeti
The paper proposes a distributional theory explaining how large language models (LLMs) incorporate external evidence into their decision-making process. It identifies three key predictions: (1) evidence is more persuasive when it aligns with the model’s prior beliefs, (2) models more readily accept errors from their own internal processes than from external sources, and (3) the same evidence can improve weaker models while harming stronger ones. Extensive experiments across ten million trials, twelve LLMs from four families, and eight domains—including quantum mechanics, physics, genetics, and molecular biology—confirm these predictions and reveal that evidence integration occurs late in the network as a structured sequence of steps rather than through a simple trust metric.
By Sebastien Kawada, Manolis Kellis
arXiv:2610.17740v1 Announce Type: new
Abstract: Large language models (LLMs) are increasingly used to discover scientific equations from experimental data. Such a discovery system has two parts that...
By Pengze Li, Jiaquan Zhang, Encheng Su, Yunbo Long, Zihang Zeng, Xinping Liu, Han Zhang, Junchi Yu, Shixiang Tang, Aoran Wang, Xi Chen
The paper introduces a framework for evaluating large language model agents by attempting to end‑to‑end reproduce published astronomy studies, separating execution from verification and distinguishing computational failures from methodological ambiguities. Applying this to fourteen papers—one from The Astrophysical Journal and thirteen from Nature—revealed that eleven contained ambiguities that prevented a uniquely specified reproduction path. In a controlled case study, twelve different analysis paths produced distance estimates ranging from 2.16 to 3.53 kpc, with only one matching the published value of ~2.70 kpc, demonstrating that matching outcomes does not guarantee that the agent has reconstructed the underlying reasoning.
whyItMatters":"The study shows that end‑to‑end reproduction can expose gaps in implicit scientific knowledge within AI systems, highlighting the need for better integration of causal relevance in LLM agents."
By Yuehui Wang, Xinyu Qi, Guirong Xue, Cheng Wang, Yangbin Xie, Xiaoyu Tang, Cong Sun
arXiv:2607. 05682v1 Announce Type: new Abstract: LLM systems for scientific discovery increasingly assist with ideation, literature synthesis, experiment planning, and report generation, but the first research question they propose can remain difficult to audit: it may sound plausible without exposing the mechanism, falsifier, or assumption that a scientist should inspect.
By Yufeng Wang
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