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Related papers: Interleaved Tool-Call Reasoning for Protein Functi…

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Tool-augmented large language models (LLMs) leverage tools, often in the form of APIs, to improve their reasoning capabilities on complex tasks. This enables them to act as intelligent agents interacting with the real world. The recently…

Computation and Language · Computer Science 2025-03-24 Sijia Chen , Yibo Wang , Yi-Feng Wu , Qing-Guo Chen , Zhao Xu , Weihua Luo , Kaifu Zhang , Lijun Zhang

Protein language models (pLMs) excel in a variety of tasks that range from structure prediction to the design of functional enzymes. However, these models operate as black boxes, and their underlying working principles remain unclear. Here,…

Biomolecules · Quantitative Biology 2025-12-08 Andrea Hunklinger , Noelia Ferruz

While reinforcement learning (RL) enhances their ability to plan and reason across retrieval steps, we identify a critical failure mode in this setting: Tool-Call Hacking. Unlike execution-based tools (e.g., code or math), whose effects are…

Artificial Intelligence · Computer Science 2026-01-26 SHengjie Ma , Chenlong Deng , Jiaxin Mao , Jiadeng Huang , Teng Wang , Junjie Wu , Changwang Zhang , Jun wang

Long chain-of-thought (CoT) significantly enhances the reasoning capabilities of large language models (LLMs). However, extensive reasoning traces lead to inefficiencies and increased time-to-first-token (TTFT). We propose a training…

Computation and Language · Computer Science 2026-01-08 Roy Xie , David Qiu , Deepak Gopinath , Dong Lin , Yanchao Sun , Chong Wang , Saloni Potdar , Bhuwan Dhingra

Recent advances in Protein Language Models (PLMs) have transformed protein engineering, yet unlike their counterparts in Natural Language Processing (NLP), current PLMs exhibit a fundamental limitation: they excel in either Protein Language…

Computational Engineering, Finance, and Science · Computer Science 2025-09-16 Liuzhenghao Lv , Zongying Lin , Hao Li , Yuyang Liu , Jiaxi Cui , Calvin Yu-Chian Chen , Li Yuan , Yonghong Tian

Large language models (LLMs) have demonstrated strong capabilities in language understanding and reasoning, yet they remain limited when tackling real-world tasks that require up-to-date knowledge, precise operations, or specialized tool…

Machine Learning · Computer Science 2025-09-17 Yabo Zhang , Yihan Zeng , Qingyun Li , Zhen Hu , Kavin Han , Wangmeng Zuo

Motivation: Protein function prediction is a challenging task and an open problem in computational biology. The Critical Assessment of protein Function Annotation (CAFA) is a triennial, community-driven initiative that provides an…

Quantitative Methods · Quantitative Biology 2026-04-23 An Phan , Yanli Wang , Frimpong Boadu , Maxat Kulmanov , Robert Hoehndorf , Jianlin Cheng , Predrag Radivojac , Iddo Friedberg

To achieve faithful reasoning that aligns with human expectations, large language models (LLMs) need to ground their reasoning to real-world knowledge (e.g., web facts, math and physical rules). Tools help LLMs access this external…

Tool-augmented Language Models (TaLMs) can invoke external tools to solve problems beyond their parametric capacity. However, it remains unclear whether these tool-enabled gains reflect trustworthy reasoning. Focusing on the Code…

Computation and Language · Computer Science 2026-04-22 Farima Fatahi Bayat , Pouya Pezeshkpour , Estevam Hruschka

Modern Protein Language Models (PLMs) apply transformer-based model architectures from natural language processing to biological sequences, predicting a variety of protein functions and properties. However, protein language has key…

Machine Learning · Computer Science 2026-02-25 Anna Hart , Chi Han , Jeonghwan Kim , Huimin Zhao , Heng Ji

Deciphering the function of unseen protein sequences is a fundamental challenge with broad scientific impact, yet most existing methods depend on task-specific adapters or large-scale supervised fine-tuning. We introduce the…

Machine Learning · Computer Science 2025-10-14 Xinhui Chen , Zuchao Li , Mengqi Gao , Yufeng Zhang , Chak Tou Leong , Haoyang Li , Jiaqi Chen

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…

Large Language Models (LLMs) can enhance their reasoning capabilities by using external tools. However, many tasks lack predefined tools. Prior works have explored instructing LLMs to generate tools on their own, but such approaches depend…

Computation and Language · Computer Science 2026-03-03 Xiao Liu , Da Yin , Zirui Wu , Yansong Feng

Modern AI assistants have made significant progress in natural language understanding and tool-use, with emerging efforts to interact with Web interfaces. However, current approaches that heavily rely on repeated LLM-driven HTML parsing are…

Artificial Intelligence · Computer Science 2025-04-07 Shambhavi Krishna , Zheng Chen , Yuan Ling , Xiaojiang Huang , Yingjie Li , Fan Yang , Xiang Li

Protein function prediction is currently achieved by encoding its sequence or structure, where the sequence-to-function transcendence and high-quality structural data scarcity lead to obvious performance bottlenecks. Protein domains are…

Biomolecules · Quantitative Biology 2024-12-03 Mingqing Wang , Zhiwei Nie , Yonghong He , Athanasios V. Vasilakos , Zhixiang Ren

The recent advent of reasoning models like OpenAI's o1 was met with excited speculation by the AI community about the mechanisms underlying these capabilities in closed models, followed by a rush of replication efforts, particularly from…

Computation and Language · Computer Science 2025-11-21 Brown Ebouky , Andrea Bartezzaghi , Mattia Rigotti

With the development of next generation sequencing techniques, it is fast and cheap to determine protein sequences but relatively slow and expensive to extract useful information from protein sequences because of limitations of traditional…

Quantitative Methods · Quantitative Biology 2017-10-20 Renzhi Cao , Colton Freitas , Leong Chan , Miao Sun , Haiqing Jiang , Zhangxin Chen

Large Language Models (LLMs) have demonstrated remarkable efficiency in tackling various tasks based on human instructions, but studies reveal that they often struggle with tasks requiring reasoning, such as math or physics. This limitation…

Computation and Language · Computer Science 2024-10-08 Ruoyu Wang , Xiaoxuan Li , Lina Yao

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

Protein analysis tasks arising in healthcare settings often require accurate reasoning under protein sequence constraints, involving tasks such as functional interpretation of disease-related variants, protein-level analysis for clinical…

Artificial Intelligence · Computer Science 2026-03-03 Congying Liu , Taihao Li , Ming Huang , Xingyuan Wei , Peipei Liu , Yiqing Shen , Yanxu Mao , Tiehan Cui
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