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We consider the protein sequence engineering problem, which aims to find protein sequences with high fitness levels, starting from a given wild-type sequence. Directed evolution has been a dominating paradigm in this field which has an…

Machine Learning · Computer Science 2025-01-20 Yinkai Wang , Jiaxing He , Yuanqi Du , Xiaohui Chen , Jianan Canal Li , Li-Ping Liu , Xiaolin Xu , Soha Hassoun

Large Language models (LLMs) have emerged as powerful tools for addressing challenges across diverse domains. Notably, recent studies have demonstrated that large language models significantly enhance the efficiency of biomolecular analysis…

Computation and Language · Computer Science 2025-03-07 Jiyue Jiang , Zikang Wang , Yuheng Shan , Heyan Chai , Jiayi Li , Zixian Ma , Xinrui Zhang , Yu Li

There is a significant potential for coding skills to transition fully to natural language in the future. In this context, large language models (LLMs) have shown impressive natural language processing abilities to generate sophisticated…

Materials Science · Physics 2024-06-25 Prathamesh Satpute , Saurabh Tiwari , Maneet Gupta , Supriyo Ghosh

The pursuit of human-level artificial intelligence (AI) has significantly advanced the development of autonomous agents and Large Language Models (LLMs). LLMs are now widely utilized as decision-making agents for their ability to interpret…

Transformer neural networks show promising capabilities, in particular for uses in materials analysis, design and manufacturing, including their capacity to work effectively with both human language, symbols, code, and numerical data. Here…

Computation and Language · Computer Science 2023-11-01 Markus J. Buehler

With the development of artificial intelligence (AI), large language models (LLM) are widely used in many fields. However, the reasoning ability of LLM is still very limited when it comes to mathematical reasoning. Mathematics plays an…

Computation and Language · Computer Science 2024-08-06 Wenbei Xie , Donglin Liu , Haoran Yan , Wenjie Wu , Zongyang Liu

Large Language Models (LLMs) have revolutionized Natural Language Processing but exhibit limitations, particularly in autonomously addressing novel challenges such as reasoning and problem-solving. Traditional techniques like…

Multiagent Systems · Computer Science 2024-01-03 Sumedh Rasal

The evolution of Large Language Models (LLMs) from passive text generators to autonomous, goal-driven systems represents a fundamental shift in artificial intelligence. This chapter examines the emergence of agentic AI systems that…

Artificial Intelligence · Computer Science 2026-01-07 Nadia Sibai , Yara Ahmed , Serry Sibaee , Sawsan AlHalawani , Adel Ammar , Wadii Boulila

Protein is linked to almost every life process. Therefore, analyzing the biological structure and property of protein sequences is critical to the exploration of life, as well as disease detection and drug discovery. Traditional protein…

Machine Learning · Computer Science 2021-12-08 Yijia Xiao , Jiezhong Qiu , Ziang Li , Chang-Yu Hsieh , Jie Tang

Large Language Models (LLMs) deliver powerful AI capabilities but face deployment challenges due to high resource costs and latency, whereas Small Language Models (SLMs) offer efficiency and deployability at the cost of reduced performance.…

Artificial Intelligence · Computer Science 2025-05-13 Yi Chen , JiaHao Zhao , HaoHao Han

Artificial Intelligence (AI) has become essential in modern healthcare, with large language models (LLMs) offering promising advances in clinical decision-making. Traditional model-based approaches, including those leveraging in-context…

With the rise of large language models (LLMs), researchers are increasingly exploring their applications in var ious vertical domains, such as software engineering. LLMs have achieved remarkable success in areas including code generation…

Software Engineering · Computer Science 2025-04-15 Haolin Jin , Linghan Huang , Haipeng Cai , Jun Yan , Bo Li , Huaming Chen

Driven by curiosity, humans have continually sought to explore and understand the world around them, leading to the invention of various tools to satiate this inquisitiveness. Despite not having the capacity to process and memorize vast…

Artificial Intelligence · Computer Science 2024-01-11 Haojie Pan , Zepeng Zhai , Hao Yuan , Yaojia Lv , Ruiji Fu , Ming Liu , Zhongyuan Wang , Bing Qin

Modern AI technologies for drug discovery are distributed across heterogeneous platforms-including web applications, desktop environments, and code libraries-leading to fragmented workflows, inconsistent interfaces, and high integration…

Game environments provide rich, controllable settings that stimulate many aspects of real-world complexity. As such, game agents offer a valuable testbed for exploring capabilities relevant to Artificial General Intelligence. Recently, the…

Artificial Intelligence · Computer Science 2025-11-05 Sihao Hu , Tiansheng Huang , Gaowen Liu , Ramana Rao Kompella , Fatih Ilhan , Selim Furkan Tekin , Yichang Xu , Zachary Yahn , Ling Liu

Power electronics, a critical component in modern power systems, face several challenges in control design, including model uncertainties, and lengthy and costly design cycles. This paper is aiming to propose a Large Language Models (LLMs)…

Systems and Control · Electrical Eng. & Systems 2024-06-19 Chenggang Cui , Jiaming Liu , Junkang Feng , Peifeng Hui , Amer M. Y. M. Ghias , Chuanlin Zhang

Large Language Models (LLMs) have demonstrated exceptional performance across a wide range of tasks. To further tailor LLMs to specific domains or applications, post-training techniques such as Supervised Fine-Tuning (SFT), Preference…

Computation and Language · Computer Science 2025-05-29 Taro Yano , Yoichi Ishibashi , Masafumi Oyamada

The advent of Large Language Models (LLMs) has significantly transformed tasks across Software Engineering. In the context of Business Process Management, LLMs are now being explored as tools to derive process models directly from textual…

Software Engineering · Computer Science 2026-05-01 Pedro-Aarón Hernández-Ávalos , Luciano García-Bañuelos

Software agents, both human and computational, do not exist in isolation and often need to collaborate or coordinate with others to achieve their goals. In human society, social mechanisms such as norms ensure efficient functioning, and…

Artificial Intelligence · Computer Science 2024-10-15 Bastin Tony Roy Savarimuthu , Surangika Ranathunga , Stephen Cranefield

Identification of protein-protein interactions (PPIs) helps derive cellular mechanistic understanding, particularly in the context of complex conditions such as neurodegenerative disorders, metabolic syndromes, and cancer. Large Language…

Machine Learning · Computer Science 2025-08-18 Sanket Jantre , Tianle Wang , Gilchan Park , Kriti Chopra , Nicholas Jeon , Xiaoning Qian , Nathan M. Urban , Byung-Jun Yoon
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