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Motivation: Proteins are of great significance in living organisms. However, understanding their functions encounters numerous challenges, such as insufficient integration of multimodal information, a large number of training parameters,…

Machine Learning · Computer Science 2025-05-23 Zhicong Wang , Zicheng Ma , Ziqiang Cao , Changlong Zhou , Jun Zhang , Yiqin Gao

Context: The emergence of Large Language Models (LLMs) has significantly transformed Software Engineering (SE) by providing innovative methods for analyzing software repositories. Objectives: Our objective is to establish a practical…

Software Engineering · Computer Science 2024-12-13 Vincenzo de Martino , Joel Castaño , Fabio Palomba , Xavier Franch , Silverio Martínez-Fernández

Memory pressure has emerged as a dominant constraint in scaling the training of large language models (LLMs), particularly in resource-constrained environments. While modern frameworks incorporate various memory-saving techniques, they…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-21 Hanmei Yang , Jin Zhou , Yao Fu , Xiaoqun Wang , Ramine Roane , Hui Guan , Tongping Liu

In the past year, large language models (LLMs) have had remarkable success in domains outside the traditional natural language processing, and their capacity is further expanded into the so-called LLM agents when connected with external…

Computation and Language · Computer Science 2025-02-17 Weizhe Chen , Sven Koenig , Bistra Dilkina

The 21st century is presenting humankind with unprecedented environmental and medical challenges. The ability to design novel proteins tailored for specific purposes could transform our ability to respond timely to these issues. Recent…

Biomolecules · Quantitative Biology 2022-08-24 Noelia Ferruz , Birte Höcker

Prompt design and engineering has rapidly become essential for maximizing the potential of large language models. In this paper, we introduce core concepts, advanced techniques like Chain-of-Thought and Reflection, and the principles behind…

Software Engineering · Computer Science 2024-05-07 Xavier Amatriain

Recent advances in Large Reasoning Models (LRMs) trained with Long Chain-of-Thought (Long CoT) reasoning have demonstrated remarkable cross-domain generalization capabilities. However, the underlying mechanisms supporting such transfer…

Computation and Language · Computer Science 2025-06-19 Feng He , Zijun Chen , Xinnian Liang , Tingting Ma , Yunqi Qiu , Shuangzhi Wu , Junchi Yan

Pre-trained LLMs have demonstrated substantial capabilities across a range of conventional natural language processing (NLP) tasks, such as summarization and entity recognition. In this paper, we explore the application of LLMs in the…

Quantitative Methods · Quantitative Biology 2024-08-14 Kamyar Zeinalipour , Neda Jamshidi , Monica Bianchini , Marco Maggini , Marco Gori

Large language models (LLMs) have garnered considerable attention for their proficiency in tackling intricate tasks, particularly leveraging their capacities for zero-shot and in-context learning. However, their utility has been…

Biomolecules · Quantitative Biology 2024-05-14 Yiqing Shen , Outongyi Lv , Houying Zhu , Yu Guang Wang

In recent years, research in the area of human-robot interaction has focused on developing robots capable of understanding complex human instructions and performing tasks in dynamic and diverse environments. These systems have a wide range…

Robotics · Computer Science 2024-11-25 Simone Colombani , Dimitri Ognibene , Giuseppe Boccignone

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

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

Protein language models (PLMs) have shown promise in improving the understanding of protein sequences, contributing to advances in areas such as function prediction and protein engineering. However, training these models from scratch…

Machine Learning · Computer Science 2024-12-19 Shivasankaran Vanaja Pandi , Bharath Ramsundar

Advanced large language model agents typically adopt self-reflection for improving performance, where agents iteratively analyze past actions to correct errors. However, existing reflective approaches are inherently retrospective: agents…

Artificial Intelligence · Computer Science 2026-02-10 Hanyu Wang , Yuanpu Cao , Lu Lin , Jinghui Chen

Existing Protein Language Models (PLMs) often suffer from limited adaptability to multiple tasks and exhibit poor generalization across diverse biological contexts. In contrast, general-purpose Large Language Models (LLMs) lack the…

Machine Learning · Computer Science 2026-02-23 Yujia Wang , Jihong Guan , Wengen Li , Shuigeng Zhou , Xuhong Wang

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

Protein language models have shown remarkable success in learning biological information from protein sequences. However, most existing models are limited by either autoencoding or autoregressive pre-training objectives, which makes them…

Quantitative Methods · Quantitative Biology 2024-12-10 Bo Chen , Xingyi Cheng , Pan Li , Yangli-ao Geng , Jing Gong , Shen Li , Zhilei Bei , Xu Tan , Boyan Wang , Xin Zeng , Chiming Liu , Aohan Zeng , Yuxiao Dong , Jie Tang , Le Song

Deep neural-network-based language models (LMs) are increasingly applied to large-scale protein sequence data to predict protein function. However, being largely black-box models and thus challenging to interpret, current protein LM…

Quantitative Methods · Quantitative Biology 2024-08-06 Mai Ha Vu , Rahmad Akbar , Philippe A. Robert , Bartlomiej Swiatczak , Victor Greiff , Geir Kjetil Sandve , Dag Trygve Truslew Haug

Designing proteins de novo with tailored structural, physicochemical, and functional properties remains a grand challenge in biotechnology, medicine, and materials science, due to the vastness of sequence space and the complex coupling…

Artificial Intelligence · Computer Science 2025-12-01 Fiona Y. Wang , Di Sheng Lee , David L. Kaplan , Markus J. Buehler

Length control in Large Language Models (LLMs) is a crucial but under-addressed challenge, with applications ranging from voice interfaces requiring concise responses to research summaries needing comprehensive outputs. Current approaches…

Computation and Language · Computer Science 2025-11-04 Adewale Akinfaderin , Shreyas Subramanian , Akarsha Sehwag