arXiv AI

La Agente \'Optima: Towards Agentic Self-Driving Laboratories

La Agente ’Optima is an agentic framework that builds and manages Bayesian optimization campaigns for self‑driving laboratories, separating large language model reasoning from campaign execution. It maintains a persistent optimization state, allowing consistent repetitive loops and auditable decisions, and only returns control to the agent when interpretation or revision is needed. In tests on digital discovery tasks and physical platforms, it corrected measurement failures, improved yields, and recommended formulation changes, outperforming human‑directed campaigns in cost and material usage.

arXiv AI
Aug 25

The Greatness of Science Cannot Be Planned: Agentic Auto-Research is Fuzz Testing

The article argues that agentic auto‑research should be guided by dense, intermediate signals of epistemic progress rather than by sparse final benchmarks. It compares this approach to fuzz testing, where coverage provides continuous feedback that directs input mutation. The authors propose controlled experiments to test whether such signals improve discovery efficiency and reduce false positives, and demonstrate in a simulated physics setting that an AI agent using feedback‑driven search uncovers a hidden law while optimization‑driven baselines fail.

By Yifeng He, Jicheng Wang, Yinzhe Zhao, Chengyang Shi, Jiachen Liu, Hao Chen
arXiv AI
Jun 12

Fantastic Scientific Agents and How to Build Them: AgentBuild for Rietveld Refinement

arXiv:2606. 12834v1 Announce Type: new Abstract: As scientific workflows shift from deterministic executables to LLM-based agents, the development practices on offer, such as fine-tuning, reinforcement learning, and prompt-and-go, bury the scientist's judgment.

By Woong Shin, Craig A. Bridges, Marshall T. McDonnell, Rafael Ferreira da Silva
arXiv AI
Oct 16

MLExpert: Towards a Generalist Agentic Model for Autonomous Machine Learning Engineering

MLExpert is a 35B Mixture-of-Experts agentic model designed to autonomously perform long‑horizon machine learning engineering (MLE) tasks. It uses a post‑training method that combines hierarchical agentic supervised fine‑tuning with Windowed Interaction RL to learn from intermediate outcomes in complex experimentation workflows. On the MLE‑Bench Lite benchmark, MLExpert raises the average medal rate from 37.9% to 72.7%, matching the performance of larger frontier models and demonstrating generalizable optimization capabilities across related tasks.

By Shangheng Du, Jinxin Shi, Shuaiyu Zhang, Yiming Wu, Junpeng Zhao, Shiyang Feng, Xin Li, Liang He, Xiangchao Yan, Bo Zhang
arXiv Machine Learning
Oct 28

Organon : From Evolutionary Search to Recursive Self-Improving Agents for Scientific Discovery

Organon is a recursively self‑improving agent designed for scientific discovery that autonomously revises its search strategies, population management, diagnostics, memory, and worker coordination during execution. By diagnosing and correcting its own adaptation procedures, the agent continuously refines the mechanisms guiding its future self‑improvement. Across 21 computational discovery tasks—including algorithm design, GPU kernel optimization, and systems optimization—Organon outperforms competing frameworks, achieving a 20.5% mean performance gain on ALE‑Bench Lite and up to 1.67× speedups on KernelBench.

By Cheikh Ahmed, Zhiyu Zhang, Kun Mao, Yong Zhang, Zirui Zhou