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Recent advances in protein language models (PLMs) have demonstrated remarkable capabilities in understanding protein sequences. However, the extent to which different model architectures capture antibody-specific biological properties…

机器学习 · 计算机科学 2025-12-11 Mengren , Liu , Yixiang Zhang , Yiming , Zhang

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…

生物大分子 · 定量生物学 2025-03-14 Zicheng Ma , Chuanliu Fan , Zhicong Wang , Zhenyu Chen , Xiaohan Lin , Yanheng Li , Shihao Feng , Jun Zhang , Ziqiang Cao , Yi Qin Gao

Protein representation learning is critical for numerous biological tasks. Recently, large transformer-based protein language models (pLMs) pretrained on large scale protein sequences have demonstrated significant success in sequence-based…

机器学习 · 计算机科学 2025-08-12 Xuefeng Liu , Songhao Jiang , Chih-chan Tien , Jinbo Xu , Rick Stevens

Deciphering the function of unseen protein sequences is a fundamental challenge with broad scientific impact, yet most existing methods depend on task-specific adapters or large-scale supervised fine-tuning. We introduce the…

机器学习 · 计算机科学 2025-10-14 Xinhui Chen , Zuchao Li , Mengqi Gao , Yufeng Zhang , Chak Tou Leong , Haoyang Li , Jiaqi Chen

Protein language models (pLMs) have recently gained significant attention for their ability to uncover relationships between sequence, structure, and function from evolutionary statistics, thereby accelerating therapeutic drug discovery.…

机器学习 · 计算机科学 2026-03-04 Darshan Patil , Pranshu Malviya , Mathieu Reymond , Quentin Fournier , Sarath Chandar

Discovering good process models is essential for different process analysis tasks such as conformance checking and process improvements. Automated process discovery methods often overlook valuable domain knowledge. This knowledge, including…

人工智能 · 计算机科学 2024-09-02 Ali Norouzifar , Humam Kourani , Marcus Dees , Wil van der Aalst

Unlocking deep and interpretable biological reasoning from complex genomic data remains a major AI challenge limiting scientific progress. While current DNA foundation models excel at representing sequences, they struggle with multi-step…

Computational biology and bioinformatics provide vast data gold-mines from protein sequences, ideal for Language Models taken from NLP. These LMs reach for new prediction frontiers at low inference costs. Here, we trained two…

In recent years, Large Language Models (LLMs) have demonstrated high reasoning capabilities, drawing attention for their applications as agents in various decision-making processes. One notably promising application of LLM agents is robotic…

Large language models (LLMs) demonstrate remarkable ability in cross-lingual tasks. Understanding how LLMs acquire this ability is crucial for their interpretability. To quantify the cross-lingual ability of LLMs accurately, we propose a…

计算与语言 · 计算机科学 2025-05-23 Kaiyu He , Tong Zhou , Yubo Chen , Delai Qiu , Shengping Liu , Kang Liu , Jun Zhao

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…

计算与语言 · 计算机科学 2025-11-11 Juntong Wu , Zijing Liu , He Cao , Hao Li , Bin Feng , Zishan Shu , Ke Yu , Li Yuan , Yu Li

Pretraining large neural language models, such as BERT, has led to impressive gains on many natural language processing (NLP) tasks. However, most pretraining efforts focus on general domain corpora, such as newswire and Web. A prevailing…

计算与语言 · 计算机科学 2021-09-20 Yu Gu , Robert Tinn , Hao Cheng , Michael Lucas , Naoto Usuyama , Xiaodong Liu , Tristan Naumann , Jianfeng Gao , Hoifung Poon

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…

The modeling of bio-molecular system across molecular scales remains a central challenge in scientific research. Large language models (LLMs) are increasingly applied to bio-molecular discovery, yet systematic evaluation across multi-scale…

机器学习 · 计算机科学 2026-04-07 Yaxin Xu , Yue Zhou , Tianyu Zhao , Fengwei An , Zhixiang Ren

Large Language Models (LLMs) have shown remarkable performance in various natural language processing tasks but face challenges in mathematical reasoning, where complex problem-solving requires both linguistic understanding and mathematical…

计算与语言 · 计算机科学 2025-03-20 Shuguang Chen , Guang Lin

The ratio of outlier parameters in language pre-training models and vision pre-training models differs significantly, making cross-modality (language and vision) inherently more challenging than cross-domain adaptation. As a result, many…

计算机视觉与模式识别 · 计算机科学 2026-04-06 Yaxin Luo , Zhiqiang Shen

Large-scale Protein Language Models (PLMs) have improved performance in protein prediction tasks, ranging from 3D structure prediction to various function predictions. In particular, AlphaFold, a ground-breaking AI system, could potentially…

定量方法 · 定量生物学 2022-10-18 Mingyang Hu , Fajie Yuan , Kevin K. Yang , Fusong Ju , Jin Su , Hui Wang , Fei Yang , Qiuyang Ding

Proteins are fundamental to biology, executing diverse functions through complex physicochemical interactions, and they hold transformative potential across medicine, materials science, and environmental applications. Protein Language…

生物大分子 · 定量生物学 2025-06-11 Logan Hallee , Nikolaos Rafailidis , David B. Bichara , Jason P. Gleghorn

The prediction of protein structures from sequences is an important task for function prediction, drug design, and related biological processes understanding. Recent advances have proved the power of language models (LMs) in processing the…

定量方法 · 定量生物学 2022-12-01 Bozhen Hu , Jun Xia , Jiangbin Zheng , Cheng Tan , Yufei Huang , Yongjie Xu , Stan Z. Li

This research paper discusses the advances made in the past decade in biomedicine and Large Language Models. To understand how the advances have been made hand-in-hand with one another, the paper also discusses the integration of Natural…

计算与语言 · 计算机科学 2024-06-26 Michael Ackerman