arXiv:2609.37808v1 Announce Type: new
Abstract: Protein optimization aims to discover high-fitness sequences under a limited experimental budget. Existing machine-learning methods use task-specific p...
By Zefeng Lin, Xianyong Fang, Tianfan Fu, Xiaohua Xu
PFArena is a new benchmark for evaluating language models in protein modification tasks, featuring four controlled interfaces that span single‑mutant generation and multi‑mutant ranking. It incorporates varying levels of mutation fitness data to represent four research scenarios with different amounts of prior experimental context. The benchmark tests six protein language models, six large language models, and five LLM‑based agents, finding that PLMs excel at open‑ended single‑mutant generation while LLMs and agents perform best in multi‑mutant ranking when target‑specific data are available, yet all struggle as search space and mutation depth grow.
By Yawen Ouyang, Xinbo Zhang, Ziyuan Ma, Yixin Wu, Wenbin Liao, Feiran Zhang, Wenjie Li, Lihao Wang, Hao Wang, Xiaoqing Zheng, Xuefeng Yan, Lei Bai, Ya-Qin Zhang, Shuyi Zhang, Wei-Ying Ma, Dahua Lin, Bowen Zhou, Hao Zhou
arXiv:2507. 08920v4 Announce Type: replace-cross Abstract: We introduce AMix-1, a powerful protein foundation model built on Bayesian Flow Networks and empowered by a systematic training methodology, encompassing pretraining scaling laws, emergent capability analysis, in-context learning mechanism, and test-time scaling algorithm.
By Changze Lv, Jiang Zhou, Siyu Long, Lihao Wang, Jiangtao Feng, Dongyu Xue, Yu Pei, Hao Wang, Zherui Zhang, Yuchen Cai, Zhiqiang Gao, Ziyuan Ma, Jiakai Hu, Chaochen Gao, Jingjing Gong, Yuxuan Song, Shuyi Zhang, Xiaoqing Zheng, Deyi Xiong, Lei Bai, Wanli Ouyang, Ya-Qin Zhang, Wei-Ying Ma, Bowen Zhou, Hao Zhou
arXiv:2609.05818v1 Announce Type: new
Abstract: We introduce ABLE, a benchmark for evaluating LLM agents' ability to use biological AI models (BAIMs), such as ProteinMPNN and AlphaFold3, in dual-use...
By Bryce Cai, Geetha Jeyapragasan, Samira Nedungadi, Jake Yukich, Seth Donoughe
arXiv:2509. 26405v2 Announce Type: replace Abstract: We introduce InVirtuoGen, a discrete flow generative model for fragmented SMILES for de novo and fragment-constrained generation, and target-property/lead optimization of small molecules.
By Benno Kaech, Luis Wyss, Karsten Borgwardt, Gianvito Grasso
arXiv:2602. 02905v2 Announce Type: replace Abstract: Autonomous agents powered by large language models (LLMs) promise to accelerate scientific discovery end-to-end, but rigorously evaluating their capacity for verifiable discovery remains a central challenge.
By Zhen Wang, Fan Bai, Zhongyan Luo, Jinyan Su, Kaiser Sun, Xinle Yu, Jieyuan Liu, Kun Zhou, Claire Cardie, Mark Dredze, Zhiting Hu, Eric P. Xing