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Large language models have made remarkable progress in the field of molecular science, particularly in understanding and generating functional small molecules. This success is largely attributed to the effectiveness of molecular…

Biomolecules · Quantitative Biology 2025-03-14 Zicheng Ma , Chuanliu Fan , Zhicong Wang , Zhenyu Chen , Xiaohan Lin , Yanheng Li , Shihao Feng , Jun Zhang , Ziqiang Cao , Yi Qin Gao

Large Language Models (LLMs) have shown great promise in multilingual machine translation (MT), even with limited bilingual supervision. However, fine-tuning LLMs with parallel corpora presents major challenges, namely parameter…

Computation and Language · Computer Science 2026-05-26 Bo Li , Tianyu Dong , Shaolin Zhu , Deyi Xiong

Large Language Models (LLMs) with their strong task-handling capabilities have shown remarkable advancements across a spectrum of fields, moving beyond natural language understanding. However, their proficiency within the chemistry domain…

Computer Vision and Pattern Recognition · Computer Science 2026-02-02 Khiem Le , Zhichun Guo , Kaiwen Dong , Xiaobao Huang , Bozhao Nan , Roshni Iyer , Xiangliang Zhang , Olaf Wiest , Wei Wang , Ting Hua , Nitesh V. Chawla

Molecular property prediction is an increasingly critical task within drug discovery and development. Typically, neural networks can learn molecular properties using graph-based, language-based or feature-based methods. Recent advances in…

Machine Learning · Computer Science 2025-07-31 Philip Spence , Brooks Paige , Anne Osbourn

Motivation: A perennial challenge for biomedical researchers and clinical practitioners is to stay abreast with the rapid growth of publications and medical notes. Natural language processing (NLP) has emerged as a promising direction for…

Computation and Language · Computer Science 2021-12-16 Robert Tinn , Hao Cheng , Yu Gu , Naoto Usuyama , Xiaodong Liu , Tristan Naumann , Jianfeng Gao , Hoifung Poon

Large Language Models (LLMs) have demonstrated impressive performance in software engineering tasks. However, improving their accuracy in generating correct and reliable code remains challenging. Numerous prompt engineering techniques…

Software Engineering · Computer Science 2024-09-26 Chung-Yu Wang , Alireza DaghighFarsoodeh , Hung Viet Pham

In recent years, Large Language Models (LLMs) have made significant strides towards Artificial General Intelligence. However, training these models from scratch requires substantial computational resources and vast amounts of text data. In…

Computation and Language · Computer Science 2024-10-03 Wenzhen Zheng , Wenbo Pan , Xu Xu , Libo Qin , Li Yue , Ming Zhou

Molecular property prediction is a crucial foundation for drug discovery. In recent years, pre-trained deep learning models have been widely applied to this task. Some approaches that incorporate prior biological domain knowledge into the…

Machine Learning · Computer Science 2024-08-20 Tianyu Zhang , Yuxiang Ren , Chengbin Hou , Hairong Lv , Xuegong Zhang

Recently, we have observed that Large Multi-modal Models (LMMs) are revolutionizing the way machines interact with the world, unlocking new possibilities across various multi-modal applications. To adapt LMMs for downstream tasks,…

Computation and Language · Computer Science 2024-11-04 Donghoon Kim , Gusang Lee , Kyuhong Shim , Byonghyo Shim

Large language models (LLMs) hold the promise of solving diverse tasks when provided with appropriate natural language prompts. However, prompting often leads models to make predictions with lower accuracy compared to finetuning a model…

Computation and Language · Computer Science 2024-08-13 Chenyang Zhao , Xueying Jia , Vijay Viswanathan , Tongshuang Wu , Graham Neubig

Large language models (LLMs) have revolutionized lots of fields of research. Although it is well-known that fine-tuning is essential for enhancing the capabilities of LLMs, existing research suggests that there is potential redundancy in…

Artificial Intelligence · Computer Science 2025-02-14 Haoling Li , Xin Zhang , Xiao Liu , Yeyun Gong , Yifan Wang , Qi Chen , Peng Cheng

Large language models (LLMs) have shown remarkable capabilities in general domains, but their application to multi-omics biology remains underexplored. To address this gap, we introduce Biology-Instructions, the first large-scale…

Large language models (LLMs) have shown great abilities of solving various natural language tasks in different domains. Due to the training objective of LLMs and their pre-training data, LLMs are not very well equipped for tasks involving…

Computation and Language · Computer Science 2024-05-31 Jiuzhou Han , Nigel Collier , Wray Buntine , Ehsan Shareghi

While transformer-based pre-trained language models (PLMs) have dominated a number of NLP applications, these models are heavy to deploy and expensive to use. Therefore, effectively compressing large-scale PLMs becomes an increasingly…

Computation and Language · Computer Science 2023-06-02 Zhuocheng Gong , Jiahao Liu , Qifan Wang , Yang Yang , Jingang Wang , Wei Wu , Yunsen Xian , Dongyan Zhao , Rui Yan

Tool learning has emerged as a promising direction by extending Large Language Models' (LLMs) capabilities with external tools. Existing tool learning studies primarily focus on the general-purpose tool-use capability, which addresses…

Computation and Language · Computer Science 2025-02-27 Qiancheng Xu , Yongqi Li , Heming Xia , Fan Liu , Min Yang , Wenjie Li

Assessing the quality of scientific research is essential for scholarly communication, yet widely used approaches face limitations in scalability, subjectivity, and time delay. Recent advances in large language models (LLMs) offer new…

Information Retrieval · Computer Science 2026-04-21 Mengjia Wu , Yi Zhang , Robin Haunschild , Lutz Bornmann

Chemical Language Models (CLMs) pre-trained on large scale molecular data are widely used for molecular property prediction. However, the common belief that increasing training resources such as model size, dataset size, and training…

Machine Learning · Computer Science 2026-05-14 Tatsuya Sagawa , Ryosuke Kojima

Large language models (LLMs) hold promise for generating plans for complex tasks, but their effectiveness is limited by sequential execution, lack of control flow models, and difficulties in skill retrieval. Addressing these issues is…

Computation and Language · Computer Science 2024-10-18 Andrei Cosmin Redis , Mohammadreza Fani Sani , Bahram Zarrin , Andrea Burattin

In recent years, large language models(LLMs) have attracted significant attention due to their exceptional performance across a multitude of natural language process tasks, and have been widely applied in various fields. However, the…

Current protein language models (PLMs) learn protein representations mainly based on their sequences, thereby well capturing co-evolutionary information, but they are unable to explicitly acquire protein functions, which is the end goal of…

Biomolecules · Quantitative Biology 2023-07-06 Minghao Xu , Xinyu Yuan , Santiago Miret , Jian Tang