arXiv Machine Learning

A Probabilistic Framework for LLM-Based Model Discovery

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.

arXiv AI
Aug 11

Model Discovery Agent: LLM-assisted Bayesian experiment design for data-efficient discovery of mechanistic world models

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
Hugging Face Trending Papers
Aug 10

Model Discovery Agent: LLM-assisted Bayesian experiment design for data-efficient discovery of mechanistic world models

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 AI
6d ago

Mechanist: AI as a Scientific Instrument for Discovering the Mechanisms of Intelligence

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 AI
Jul 14

Are LLMs Ready for Scientific Discovery? A Capability-Oriented Benchmark for AI Scientists

arXiv:2607. 11079v1 Announce Type: new Abstract: Existing benchmarks for scientific data analysis evaluate LLMs primarily on code execution or workflow completion, overlooking that scientific analysis serves to support distinct types of scientific claims: hypothesis exploration, statistical inference, mechanistic explanation, each with different assumptions and validity criteria.

By Chuhan Shi, Xiaoquan Ren, Sicheng Song, Haobo Li, Rui Sheng, Yushi Sun
arXiv AI
Jul 16

Automatic Ordinary Differential Equations Discovery For Biological Systems Using Large Language Model Powered Agentic System

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
Hugging Face Trending Papers
Jul 15

Automatic Ordinary Differential Equations Discovery For Biological Systems Using Large Language Model Powered Agentic System

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.

arXiv Machine Learning
Jun 9

GPT-Micro: A large language paradigm for accelerated, inexpensive, and thermodynamics-consistent discovery of constitutive models in manufacturing

arXiv:2606. 08238v1 Announce Type: new Abstract: Constitutive modeling of the relationship between process-imposed material states and fundamental material properties is critical to control of material microstructure in manufacturing processes.

By Soumik Dutta, Kiarash Naghavi Khanghah, Sania Shree, Logan McNeil, Thomas Feldhausen, Hongyi Xu, Rajiv Malhotra