AI agents

Tool use, function calling, orchestration and the protocols that let models act rather than only answer.

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Hugging Face Trending Papers
Jun 29

Towards Generalizable and Evidential Nuclear Magnetic Resonance-Based Molecular Structure Elucidation via Large Language Model Agent

Nuclear Magnetic Resonance (NMR) spectroscopy is the gold standard for molecular structure elucidation, yet interpreting complex spectra for unknown molecules remains a bottleneck reliant on human expertise. While artificial intelligence has advanced this field, current methods face a critical trade-off: database retrieval cannot identify novel scaffolds, while de novo molecular structure elucidation models operate as black boxes, lacking the atom-level interpretability required for rigorous scientific validation.

arXiv AI
Jun 29

Agent-as-a-Router: Agentic Model Routing for Coding Tasks

arXiv:2606. 22902v3 Announce Type: replace Abstract: Real-world users typically have access to multiple Large Language Models (LLMs) from different providers, and these LLMs often excel at distinct domains, yet none dominate all.

By Pengfei Zhou, Zhiwei Tang, Yixing Ma, Jiasheng Tang, Yizeng Han, Zhenglin Wan, Fanqing Meng, Wei Wang, Bohan Zhuang, Wangbo Zhao, Yang You
arXiv AI
Jun 29

Seven Security Challenges That Must be Solved in Cross-domain Multi-agent LLM Systems

arXiv:2505. 23847v4 Announce Type: replace-cross Abstract: Large language models (LLMs) are rapidly evolving into autonomous agents that cooperate across organizational boundaries, enabling joint disaster response, supply-chain optimization, and other tasks that demand decentralized expertise without surrendering data ownership.

By Ronny Ko, Jiseong Jeong, Shuyuan Zheng, Chuan Xiao, Tae-Wan Kim, Makoto Onizuka, Won-Yong Shin