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Large language models (LLMs) have notably progressed in multi-step and long-chain reasoning. However, extending their reasoning capabilities to encompass deep interactions with search remains a non-trivial challenge, as models often fail to…

Computation and Language · Computer Science 2025-06-05 Qingfei Zhao , Ruobing Wang , Dingling Xu , Daren Zha , Limin Liu

Protein-specific large language models (Protein LLMs) are revolutionizing protein science by enabling more efficient protein structure prediction, function annotation, and design. While existing surveys focus on specific aspects or…

Despite their remarkable natural language understanding capabilities, Large Language Models (LLMs) have been underutilized for retrieval tasks. We present Search-R3, a novel framework that addresses this limitation by adapting LLMs to…

Computation and Language · Computer Science 2026-04-10 Yuntao Gui , James Cheng

While language models have shown remarkable performance across diverse tasks, they still encounter challenges in complex reasoning scenarios. Recent research suggests that language models trained on linearized search traces toward…

Artificial Intelligence · Computer Science 2025-10-28 Seungyong Moon , Bumsoo Park , Hyun Oh Song

RNA design, the task of finding a sequence that folds into a target secondary structure, has broad biological and biomedical impact but remains computationally challenging due to the exponentially large sequence space and exponentially many…

Machine Learning · Computer Science 2026-02-16 Milan Gautam , Ning Dai , Tianshuo Zhou , Bowen Xie , David Mathews , Liang Huang

The global demand for sustainable protein sources has accelerated the need for intelligent tools that can rapidly process and synthesise domain-specific scientific knowledge. In this study, we present a proof-of-concept multi-agent…

Artificial Intelligence · Computer Science 2025-06-26 Alexander D. Kalian , Jaewook Lee , Stefan P. Johannesson , Lennart Otte , Christer Hogstrand , Miao Guo

Computational RNA design tasks are often posed as inverse problems, where sequences are designed based on adopting a single desired secondary structure without considering 3D conformational diversity. We introduce gRNAde, a geometric RNA…

Efficiently acquiring external knowledge and up-to-date information is essential for effective reasoning and text generation in large language models (LLMs). Prompting advanced LLMs with reasoning capabilities to use search engines during…

Computation and Language · Computer Science 2025-08-07 Bowen Jin , Hansi Zeng , Zhenrui Yue , Jinsung Yoon , Sercan Arik , Dong Wang , Hamed Zamani , Jiawei Han

Supervised fine-tuning (SFT) is a standard approach for adapting large language models to specialized domains, yet its application to protein sequence modeling and protein language models (PLMs) remains ad hoc. This is in part because…

Machine Learning · Computer Science 2025-12-11 Amin Tavakoli , Raswanth Murugan , Ozan Gokdemir , Arvind Ramanathan , Frances Arnold , Anima Anandkumar

Large Language Models (LLMs) have shown great potential in the biomedical domain with the advancement of retrieval-augmented generation (RAG). However, existing retrieval-augmented approaches face challenges in addressing diverse queries…

Computation and Language · Computer Science 2024-10-17 Minda Hu , Licheng Zong , Hongru Wang , Jingyan Zhou , Jingjing Li , Yichen Gao , Kam-Fai Wong , Yu Li , Irwin King

Large Language Models (LLMs) offer promising capabilities for tackling complex reasoning tasks, including optimization problems. However, existing methods either rely on prompt engineering, which leads to poor generalization across problem…

Machine Learning · Computer Science 2025-10-23 Dong Li , Xujiang Zhao , Linlin Yu , Yanchi Liu , Wei Cheng , Zhengzhang Chen , Zhong Chen , Feng Chen , Chen Zhao , Haifeng Chen

In this work, we evaluate 10 open-source instructed LLMs on four representative code comprehension and generation tasks. We have the following main findings. First, for the zero-shot setting, instructed LLMs are very competitive on code…

Computation and Language · Computer Science 2023-08-03 Zhiqiang Yuan , Junwei Liu , Qiancheng Zi , Mingwei Liu , Xin Peng , Yiling Lou

The emergence of Large Language Models (LLMs) has fundamentally transformed natural language processing, making them indispensable across domains ranging from conversational systems to scientific exploration. However, their pre-trained…

Although RLVR has become an essential component for developing advanced reasoning skills in language models, contemporary studies have documented training plateaus after thousands of optimization steps, i.e., notable decreases in…

Artificial Intelligence · Computer Science 2026-04-08 Fang Wu , Weihao Xuan , Heli Qi , Ximing Lu , Aaron Tu , Li Erran Li , Yejin Choi

Predicting protein 3D structure from amino acid sequence remains as a challenge in the field of computational biology. If protein structure homologues are not found, one has to construct 3D structural conformations from the very beginning…

Biological Physics · Physics 2014-01-14 Chao Wang , Yi Wei , Juntao Liu , Haicang Zhang , Bin Ling , Shuai Cheng Li , Wei-Mou Zheng , Dongbo Bu

The success of DeepSeek-R1 demonstrates the immense potential of using reinforcement learning (RL) to enhance LLMs' reasoning capabilities. This paper introduces Retrv-R1, the first R1-style MLLM specifically designed for multimodal…

Computer Vision and Pattern Recognition · Computer Science 2025-10-28 Lanyun Zhu , Deyi Ji , Tianrun Chen , Haiyang Wu , Shiqi Wang

Biomedical queries often rely on a deep understanding of specialized knowledge such as gene regulatory mechanisms and pathological processes of diseases. They require detailed analysis of complex physiological processes and effective…

Computation and Language · Computer Science 2026-02-02 Congying Liu , Xingyuan Wei , Peipei Liu , Yiqing Shen , Yanxu Mao , Tiehan Cui

In recent years, protein-text models have gained significant attention for their potential in protein generation and understanding. Current approaches focus on integrating protein-related knowledge into large language models through…

Computation and Language · Computer Science 2025-11-11 Juntong Wu , Zijing Liu , He Cao , Hao Li , Bin Feng , Zishan Shu , Ke Yu , Li Yuan , Yu Li

Recently, test-time scaling has garnered significant attention from the research community, largely due to the substantial advancements of the o1 model released by OpenAI. By allocating more computational resources during the inference…

Machine learning (ML) holds great promise for clinical applications but is often hindered by limited access to high-quality data due to privacy concerns, high costs, and long timelines associated with clinical trials. While large language…

Computation and Language · Computer Science 2026-03-27 Zerui Xu , Fang Wu , Yingzhou Lu , Yuanyuan Zhang , Yue Zhao