arXiv Machine Learning

Dictionaries, Not Darwin: Set-Level Selection Beats LLM Evolution in Scientific Equation Discovery

arXiv:2607. 04108v1 Announce Type: new Abstract: Large language models are increasingly used as evolutionary engines for scientific discovery: generate candidates, select winners, feed them back as parents, and repeat.

arXiv AI
Jun 29

When Is an LLM Worth It for Hyperparameter Optimization? A Budget-Matched Study on Tabular Data Finds the Warm-Start Is a Default Configuration, Not the Model

arXiv:2606. 21641v2 Announce Type: replace-cross Abstract: Large language models (LLMs) have been proposed as hyperparameter-optimization (HPO) advisors that "warm-start" search from prior knowledge, proposing strong configurations in very few evaluations.

By Carson Rodrigues, Oysturn Vas, Isaiah Abner DCosta, Nithish Kumar Prabhakaran
arXiv AI
Aug 3

Library Reachability in LSR-Synth: How Anti-Memorization Design Changes the Measurement of Symbolic Discovery

arXiv:2607. 28684v1 Announce Type: new Abstract: Existing benchmarks for scientific equation discovery are largely composed of well-known equations available in the public domain, making it difficult to determine whether a model is discovering laws from data or merely recalling answers from its training corpus.

By Zhan'ao Yao, Liang Yin, Zhihao Gao, Boxuan Zhang, Xiaoyu Wu, Linjing Li, Rongyan Wang, Tingwei Chen, Youwei Wang, Xiaolin Zhao, Jiahui Shi, Jianjun Liu
arXiv AI
Jun 10

Towards Diverse Scientific Hypothesis Search with Large Language Models

arXiv:2606. 10587v1 Announce Type: cross Abstract: Large language models (LLMs) are on the rise for accelerating scientific discovery, most recently in advanced tasks such as generating valid scientific hypotheses.

By Haorui Wang, Parshin Shojaee, Kazem Meidani, Kunyang Sun, Jos\'e Miguel Hern\'andez-Lobato, Teresa Head-Gordon, Jiajun He, Chandan K. Reddy, Chao Zhang, Yuanqi Du
arXiv Machine Learning
1d ago

Large Discovery Models: Empirically-grounded Model-Based Open-Ended Search

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 AI
Aug 6

A-SR: Self-Evolving Agentic LLMs for Symbolic Regression via Hierarchical Coordination

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