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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

Protein sequence design, determined by amino acid sequences, are essential to protein engineering problems in drug discovery. Prior approaches have resorted to evolutionary strategies or Monte-Carlo methods for protein design, but often…

Protein language models (PLMs) have advanced computational protein science through large-scale pretraining and scalable architectures. In parallel, reinforcement learning (RL) has broadened exploration and enabled precise multi-objective…

Reinforcement learning (RL) has demonstrated strong potential in training large language models (LLMs) capable of complex reasoning for real-world problem solving. More recently, RL has been leveraged to create sophisticated LLM-based…

Computation and Language · Computer Science 2025-05-22 Bowen Jin , Jinsung Yoon , Priyanka Kargupta , Sercan O. Arik , Jiawei Han

Reasoning has substantially improved the performance of large language models (LLMs) on complicated tasks. Central to the current reasoning studies, Process Reward Models (PRMs) offer a fine-grained evaluation of intermediate reasoning…

Machine Learning · Computer Science 2025-11-05 Qi Cao , Ruiyi Wang , Ruiyi Zhang , Sai Ashish Somayajula , Pengtao Xie

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

Existing large language models (LLMs) driven search agents typically rely on prompt engineering to decouple the user queries into search plans, limiting their effectiveness in complex scenarios requiring reasoning. Furthermore, they suffer…

Information Retrieval · Computer Science 2025-05-27 Jinzheng Li , Sibo Ju , Yanzhou Su , Hongguang Li , Yiqing Shen

Large Language Models (LLMs) have shown remarkable capabilities in reasoning, exemplified by the success of OpenAI-o1 and DeepSeek-R1. However, integrating reasoning with external search processes remains challenging, especially for complex…

We propose ProtLLM, a versatile cross-modal large language model (LLM) for both protein-centric and protein-language tasks. ProtLLM features a unique dynamic protein mounting mechanism, enabling it to handle complex inputs where the natural…

Biomolecules · Quantitative Biology 2024-03-14 Le Zhuo , Zewen Chi , Minghao Xu , Heyan Huang , Heqi Zheng , Conghui He , Xian-Ling Mao , Wentao Zhang

Deep search agents have proven effective in enhancing LLMs by retrieving external knowledge during multi-step reasoning. However, existing methods often generate a single query for retrieval at each reasoning step, limiting information…

Artificial Intelligence · Computer Science 2026-05-14 Jiabei Liu , Wenyu Mao , Junfei Tan , Chunxu Shen , Lingling Yi , Jiancan Wu , Xiang Wang

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

Reasoning-augmented search agents such as Search-R1, trained via reinforcement learning with verifiable rewards (RLVR), demonstrate remarkable capabilities in multi-step information retrieval from external knowledge sources. These agents…

Computation and Language · Computer Science 2025-08-14 Shu Zhao , Tan Yu , Anbang Xu , Japinder Singh , Aaditya Shukla , Rama Akkiraju

Reinforcement learning (RL) over text representations can be effective for finding high-value policies that can search over graphs. However, RL requires careful structuring of the search space and algorithm design to be effective in this…

Machine Learning · Computer Science 2023-10-05 Raj Ghugare , Santiago Miret , Adriana Hugessen , Mariano Phielipp , Glen Berseth

Machine Learning-guided solutions for protein learning tasks have made significant headway in recent years. However, success in scientific discovery tasks is limited by the accessibility of well-defined and labeled in-domain data. To tackle…

Machine Learning · Computer Science 2023-01-06 Ria Vinod , Pin-Yu Chen , Payel Das

With the increasing demand for step-wise, cross-modal, and knowledge-grounded reasoning, multimodal large language models (MLLMs) are evolving beyond the traditional fixed retrieve-then-generate paradigm toward more sophisticated agentic…

Artificial Intelligence · Computer Science 2026-03-03 Xuying Ning , Dongqi Fu , Tianxin Wei , Mengting Ai , Jiaru Zou , Ting-Wei Li , Hanghang Tong , Yada Zhu , Hendrik Hamann , Jingrui He

Large language model (LLM)-based search agents have proven promising for addressing knowledge-intensive problems by incorporating information retrieval capabilities. Existing works largely focus on optimizing the reasoning paradigms of…

Artificial Intelligence · Computer Science 2026-01-09 Tongyu Wen , Guanting Dong , Zhicheng Dou

We introduce RosettaSearch, an inference-time multi-objective optimization approach for backbone conditioned protein sequence design. We use large language models (LLMs) as a generative optimizer within a search algorithm capable of…

The application of reinforcement learning (RL) to enhance the reasoning capabilities of Multimodal Large Language Models (MLLMs) constitutes a rapidly advancing research area. While MLLMs extend Large Language Models (LLMs) to handle…

Artificial Intelligence · Computer Science 2025-05-22 Guanghao Zhou , Panjia Qiu , Cen Chen , Jie Wang , Zheming Yang , Jian Xu , Minghui Qiu

Designing protein sequences that fold into a target 3D structure, known as protein inverse folding, is a fundamental challenge in protein engineering. While recent deep learning methods have achieved impressive performance by recovering…

Biomolecules · Quantitative Biology 2025-06-03 Mengdi Liu , Xiaoxue Cheng , Zhangyang Gao , Hong Chang , Cheng Tan , Shiguang Shan , Xilin Chen

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
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