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Recent advancements in biological research leverage the integration of molecules, proteins, and natural language to enhance drug discovery. However, current models exhibit several limitations, such as the generation of invalid molecular…

Computation and Language · Computer Science 2024-01-30 Qizhi Pei , Wei Zhang , Jinhua Zhu , Kehan Wu , Kaiyuan Gao , Lijun Wu , Yingce Xia , Rui Yan

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

Molecules play a crucial role in biomedical research and discovery, particularly in the field of small molecule drug development. Given the rapid advancements in large language models, especially the recent emergence of reasoning models, it…

Artificial Intelligence · Computer Science 2025-12-12 Chenyang Zuo , Siqi Fan , Zaiqing Nie

Recently, text-to-molecule models have shown great potential across various chemical applications, e.g., drug-discovery. These models adapt language models to molecular data by representing molecules as sequences of atoms. However, they…

Computation and Language · Computer Science 2025-09-18 Seojin Kim , Hyeontae Song , Jaehyun Nam , Jinwoo Shin

Molecular language modeling tasks such as molecule captioning have been recognized for their potential to further understand molecular properties that can aid drug discovery or material synthesis based on chemical reactions. Unlike the…

Machine Learning · Computer Science 2025-03-12 Sangyeup Kim , Nayeon Kim , Yinhua Piao , Sun Kim

The task of text-to-SQL parsing, which aims at converting natural language questions into executable SQL queries, has garnered increasing attention in recent years, as it can assist end users in efficiently extracting vital information from…

Computation and Language · Computer Science 2023-01-19 Jinyang Li , Binyuan Hui , Reynold Cheng , Bowen Qin , Chenhao Ma , Nan Huo , Fei Huang , Wenyu Du , Luo Si , Yongbin Li

Objective: This study aims to review the recent advances in community challenges for biomedical text mining in China. Methods: We collected information of evaluation tasks released in community challenges of biomedical text mining,…

Artificial Intelligence · Computer Science 2024-09-02 Hui Zong , Rongrong Wu , Jiaxue Cha , Weizhe Feng , Erman Wu , Jiakun Li , Aibin Shao , Liang Tao , Zuofeng Li , Buzhou Tang , Bairong Shen

The transition from task-specific artificial intelligence toward general-purpose foundation models raises fundamental questions about their capacity to support the integrated reasoning required in clinical medicine, where diagnosis demands…

Computer Vision and Pattern Recognition · Computer Science 2026-03-06 Alexandru Florea , Shansong Wang , Mingzhe Hu , Qiang Li , Zach Eidex , Luke del Balzo , Mojtaba Safari , Xiaofeng Yang

Advancements in artificial intelligence for molecular science are necessitating a paradigm shift from purely data-driven predictions to knowledge-guided computational reasoning. Existing molecular models are predominantly proprietary,…

Machine Learning · Computer Science 2026-03-16 Pengfei Liu , Shuang Ge , Jun Tao , Zhixiang Ren

Fueled by breakthrough technology developments, the biological, biomedical, and behavioral sciences are now collecting more data than ever before. There is a critical need for time- and cost-efficient strategies to analyze and interpret…

Large language models (LLMs) pretrained on vast source code have achieved prominent progress in code intelligence. However, existing code LLMs have two main limitations in terms of architecture and pretraining tasks. First, they often adopt…

Computation and Language · Computer Science 2023-05-23 Yue Wang , Hung Le , Akhilesh Deepak Gotmare , Nghi D. Q. Bui , Junnan Li , Steven C. H. Hoi

Understanding molecular structure and related knowledge is crucial for scientific research. Recent studies integrate molecular graphs with their textual descriptions to enhance molecular representation learning. However, they focus on the…

Artificial Intelligence · Computer Science 2025-06-02 Yibo Li , Yuan Fang , Mengmei Zhang , Chuan Shi

Tabular Foundation Models have recently established the state of the art in supervised tabular learning, by leveraging pretraining to learn generalizable representations of numerical and categorical structured data. However, they lack…

Large language models (LLMs) are widely applied in various natural language processing tasks such as question answering and machine translation. However, due to the lack of labeled data and the difficulty of manual annotation for…

Artificial Intelligence · Computer Science 2026-05-27 Xuan Lin , Long Chen , Yile Wang , Yangyang Chen , Xiangxiang Zeng

Recent advances in spatial omics technologies have revolutionized our ability to study biological systems with unprecedented resolution. By preserving the spatial context of molecular measurements, these methods enable comprehensive mapping…

Quantitative Methods · Quantitative Biology 2025-09-18 Zhiwei Fan , Tiangang Wang , Kexin Huang , Binwu Ying , Xiaobo Zhou

Despite the success of large language models (LLMs) on general-purpose tasks, their performance in highly specialized domains such as biomedicine remains unsatisfactory. A key limitation is the inability of LLMs to effectively leverage…

Computation and Language · Computer Science 2026-05-08 Xin Gao , Ruiyi Zhang , Meixi Du , Peijia Qin , Pengtao Xie

Metadata are general characteristics of the data in a well-curated and condensed format, and have been proven to be useful for decision making, knowledge discovery, and also heterogeneous data organization of biobank. Among all data types…

Computer Vision and Pattern Recognition · Computer Science 2019-09-18 Wei-Hung Weng , Yuannan Cai , Angela Lin , Fraser Tan , Po-Hsuan Cameron Chen

As a prevalent and dynamically regulated epigenetic modification, 5-formylcytidine (f5C) is crucial in various biological processes. However, traditional experimental methods for f5C detection are often laborious and time-consuming,…

Genomics · Quantitative Biology 2024-04-23 Guohao Wang , Ting Liu , Hongqiang Lyu , Ze Liu

The recent advances in neural language models have also been successfully applied to the field of chemistry, offering generative solutions for classical problems in molecular design and synthesis planning. These new methods have the…

Machine Learning · Computer Science 2023-05-19 Dimitrios Christofidellis , Giorgio Giannone , Jannis Born , Ole Winther , Teodoro Laino , Matteo Manica

Biomedical text mining is becoming increasingly important as the number of biomedical documents rapidly grows. With the progress in natural language processing (NLP), extracting valuable information from biomedical literature has gained…

Computation and Language · Computer Science 2019-10-21 Jinhyuk Lee , Wonjin Yoon , Sungdong Kim , Donghyeon Kim , Sunkyu Kim , Chan Ho So , Jaewoo Kang
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