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Natural language is expected to be a key medium for various human-machine interactions in the era of large language models. When it comes to the biochemistry field, a series of tasks around molecules (e.g., property prediction, molecule…

Computation and Language · Computer Science 2023-06-22 Zheni Zeng , Bangchen Yin , Shipeng Wang , Jiarui Liu , Cheng Yang , Haishen Yao , Xingzhi Sun , Maosong Sun , Guotong Xie , Zhiyuan Liu

Large Language Models (LLMs) possess human-level cognitive and decision-making capabilities, making them a key technology for 6G. However, applying LLMs to the communication domain faces three major challenges: 1) Inadequate communication…

Information Theory · Computer Science 2025-02-27 Feibo Jiang , Wanyun Zhu , Li Dong , Kezhi Wang , Kun Yang , Cunhua Pan , Octavia A. Dobre

Large Language Models (LLMs) have demonstrated great performance in few-shot In-Context Learning (ICL) for a variety of generative and discriminative chemical design tasks. The newly expanded context windows of LLMs can further improve ICL…

The rapid evolution of artificial intelligence in drug discovery encounters challenges with generalization and extensive training, yet Large Language Models (LLMs) offer promise in reshaping interactions with complex molecular data. Our…

Biomolecules · Quantitative Biology 2024-12-20 He Cao , Zijing Liu , Xingyu Lu , Yuan Yao , Yu Li

Aligning terminological resources, including ontologies, controlled vocabularies, taxonomies, and value sets is a critical part of data integration in many domains such as healthcare, chemistry, and biomedical research. Entity mapping is…

Large Language Models (LLMs) employ three popular training approaches: Masked Language Models (MLM), Causal Language Models (CLM), and Sequence-to-Sequence Models (seq2seq). However, each approach has its strengths and limitations, and…

Machine Learning · Computer Science 2025-02-18 Xuefeng Liu , Songhao Jiang , Bo Li , Rick Stevens

The integration of molecular and natural language representations has emerged as a focal point in molecular science, with recent advancements in Language Models (LMs) demonstrating significant potential for comprehensive modeling of both…

Biomolecules · Quantitative Biology 2025-03-19 Qizhi Pei , Rui Yan , Kaiyuan Gao , Jinhua Zhu , Lijun Wu

The advent of large language models (LLMs) has opened up new opportunities in the field of mobile task automation. Their superior language understanding and reasoning capabilities allow users to automate complex and repetitive tasks.…

Human-Computer Interaction · Computer Science 2024-10-17 Sunjae Lee , Junyoung Choi , Jungjae Lee , Munim Hasan Wasi , Hojun Choi , Steven Y. Ko , Sangeun Oh , Insik Shin

Precise recognition, editing, and generation of molecules are essential prerequisites for both chemists and AI systems tackling various chemical tasks. We present MolLangBench, a comprehensive benchmark designed to evaluate fundamental…

Computation and Language · Computer Science 2026-03-24 Feiyang Cai , Jiahui Bai , Tao Tang , Guijuan He , Joshua Luo , Tianyu Zhu , Srikanth Pilla , Gang Li , Ling Liu , Feng Luo

Large Language Models (LLMs), with their remarkable task-handling capabilities and innovative outputs, have catalyzed significant advancements across a spectrum of fields. However, their proficiency within specialized domains such as…

Quantitative Methods · Quantitative Biology 2024-03-05 Yin Fang , Xiaozhuan Liang , Ningyu Zhang , Kangwei Liu , Rui Huang , Zhuo Chen , Xiaohui Fan , Huajun Chen

In recent times, the grandeur of Large Language Models (LLMs) has not only shone in the realm of natural language processing but has also cast its brilliance across a vast array of applications. This remarkable display of LLM capabilities…

Computation and Language · Computer Science 2024-03-22 Hanieh Alipour , Nick Pendar , Kohinoor Roy

Qualitative research, renowned for its in-depth exploration of complex phenomena, often involves time-intensive analysis, particularly during the coding stage. Existing software for qualitative evaluation frequently lacks automatic coding…

Human-Computer Interaction · Computer Science 2024-07-23 He Zhang , Chuhao Wu , Jingyi Xie , Fiona Rubino , Sydney Graver , ChanMin Kim , John M. Carroll , Jie Cai

While large language models (LLMs) demonstrate remarkable success in multilingual translation, their internal core translation mechanisms, even at the fundamental word level, remain insufficiently understood. To address this critical gap,…

Computation and Language · Computer Science 2026-01-16 Hongbin Zhang , Kehai Chen , Xuefeng Bai , Xiucheng Li , Yang Xiang , Min Zhang

Large-scale language models (LLMs) have emerged as a groundbreaking innovation in the realm of question-answering and conversational agents. These models, leveraging different deep learning architectures such as Transformers, are trained on…

Software Engineering · Computer Science 2023-07-18 Fardin Ahsan Sakib , Saadat Hasan Khan , A. H. M. Rezaul Karim

Molecule design is a multifaceted approach that leverages computational methods and experiments to optimize molecular properties, fast-tracking new drug discoveries, innovative material development, and more efficient chemical processes.…

Computation and Language · Computer Science 2024-08-23 Sakhinana Sagar Srinivas , Venkataramana Runkana

Bridging biomolecular modeling with natural language information, particularly through large language models (LLMs), has recently emerged as a promising interdisciplinary research area. LLMs, having been trained on large corpora of…

Computation and Language · Computer Science 2024-11-04 Carl Edwards , Ziqing Lu , Ehsan Hajiramezanali , Tommaso Biancalani , Heng Ji , Gabriele Scalia

The startling success of ChatGPT and other large language models (LLMs) using transformer-based generative neural network architecture in applications such as natural language processing and image synthesis has many researchers excited…

Artificial Intelligence · Computer Science 2024-11-05 Venkat Venkatasubramanian , Arijit Chakraborty

Multimodal Large Language Models (MLLMs), such as GPT4o, have shown strong capabilities in visual reasoning and explanation generation. However, despite these strengths, they face significant challenges in the increasingly critical task of…

Computer Vision and Pattern Recognition · Computer Science 2026-04-08 Fanrui Zhang , Jiawei Liu , Jiaying Zhu , Esther Sun , Dong Li , Qiang Zhang , Zheng-Jun Zha

Multimodal Large Language Models (MLLMs) are widely regarded as crucial in the exploration of Artificial General Intelligence (AGI). The core of MLLMs lies in their capability to achieve cross-modal alignment. To attain this goal, current…

Computation and Language · Computer Science 2024-11-26 Fei Zhao , Taotian Pang , Chunhui Li , Zhen Wu , Junjie Guo , Shangyu Xing , Xinyu Dai

The increasing prevalence of large language models (LLMs) has significantly advanced text generation, but the human-like quality of LLM outputs presents major challenges in reliably distinguishing between human-authored and LLM-generated…

Computation and Language · Computer Science 2024-12-18 Zhen Tao , Yanfang Chen , Dinghao Xi , Zhiyu Li , Wei Xu