arXiv Machine Learning By Guanyu Liu, Weiyi Kong, Chao Tang, Zeyu Wang, Boer Zhang, Baiqing Li, Peiyu Zhang, Tianyu Shi

CARE: Context-Aware Ranking Evolution with Executable Scoring Programs for Budgeted Reaction Optimization

Read the original on arXiv Machine Learning →

arXiv:2606. 14581v4 Announce Type: replace Abstract: High-throughput experimentation can evaluate many reaction conditions, yet combinatorial condition spaces still exceed the available experiment budget.

Machine-generated by The Flow from the publisher's headline and feed description — not written or checked by a human. The full article lives at arXiv Machine Learning.

arXiv AI
Jun 15

CARE: Controlling LLM-Generated Policies through Auditable Review of Evidence in Scientific Experimentation

arXiv:2606. 14581v1 Announce Type: cross Abstract: Granting LLMs direct control over costly, irreversible scientific experiments leads to unsafe exploration and unstable performance, but discarding LLM creativity entirely sacrifices significant optimization potential.

By Guanyu Liu, Weiyi Kong, Zeyu Wang, Boer Zhang, Baiqing Li, Peiyu Zhang, Tianyu Shi
arXiv AI
Aug 11

Janus: An Algorithm-Evaluator Co-Evolution Framework for LLM-Driven Discovery under Expensive Evaluation Budgets

arXiv:2608. 08189v1 Announce Type: new Abstract: LLM-driven program discovery relies on rapid evaluator feedback, but many scientific and engineering tasks require high-fidelity simulations, hardware execution, or physical experiments, making each evaluation expensive.

By Ximeng Liu, Qianlong Wang, Yingming Mao, Annan Li, Yatao Li, Shizhen Zhao, Jianmin Wu, Dawei Yin, Dou Shen
arXiv AI
Sep 10

Online Surrogate Repair: Decoupling High-Fidelity Feedback from Search Length in Closed-Loop Discovery

The paper introduces Online Surrogate Repair (OSR), a closed‑loop algorithm that decouples the frequency of high‑fidelity evaluations from the length of an agent’s search by selectively updating a surrogate model with sparse, high‑fidelity data. An acquisition rule determines which candidate designs receive expensive evaluations, and the resulting labels refine the surrogate for subsequent episodes. Experiments on synthetic environments and the MADE benchmark show that OSR can reduce regret more efficiently than fixed‑surrogate approaches, requiring fewer oracle queries than high‑fidelity feedback after every episode.

By Xiaotang Feng, Philip Torr, Bruno Andreis
arXiv Machine Learning
Aug 3

Overcoming the Weakest-Link Effect in LLM-Driven Program Optimization via Heterogeneous Edit Recombination

arXiv:2607. 28947v1 Announce Type: new Abstract: Large language models (LLMs) are increasingly used to solve complex problems by searching over program space, offering a general paradigm for scientific problems that can be naturally represented and solved as programs.

By Jingwen Fu, Zhen Liu, Yuhan Liu, He Zhang, Nanning Zheng