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Protein language models (PLMs) have demonstrated remarkable success in protein modeling and design, yet their internal mechanisms for predicting structure and function remain poorly understood. Here we present a systematic approach to…

生物大分子 · 定量生物学 2024-12-18 Elana Simon , James Zou

Protein-protein interaction (PPI) prediction plays a pivotal role in deciphering cellular functions and disease mechanisms. To address the limitations of traditional experimental methods and existing computational approaches in cross-modal…

机器学习 · 计算机科学 2025-04-29 Shengrui XU , Tianchi Lu , Zikun Wang , Jixiu Zhai

Large language models (LLMs) have demonstrated impressive performance across various domains. However, for clinical diagnosis, higher expectations are required for LLM's reliability and sensitivity: thinking like physicians and remaining…

计算与语言 · 计算机科学 2025-04-21 Chenwei Yan , Xiangling Fu , Yuxuan Xiong , Tianyi Wang , Siu Cheung Hui , Ji Wu , Xien Liu

The capabilities of large language models (LLMs) have expanded beyond natural language processing to scientific prediction tasks, including molecular property prediction. However, their effectiveness in in-context learning remains…

There is vivid research on adapting Large Language Models (LLMs) to perform a variety of tasks in high-stakes domains such as healthcare. Despite their popularity, there is a lack of understanding of the extent and contributing factors that…

Proteins congregate into complexes to perform fundamental cellular functions. Phenotypic outcomes, in health and disease, are often mechanistically driven by the remodeling of protein complexes by protein coding mutations or cellular…

Large language models (LLMs) have a wealth of knowledge that allows them to excel in various Natural Language Processing (NLP) tasks. Current research focuses on enhancing their performance within their existing knowledge. Despite their…

计算与语言 · 计算机科学 2023-05-31 Zhangyue Yin , Qiushi Sun , Qipeng Guo , Jiawen Wu , Xipeng Qiu , Xuanjing Huang

Large language models (LLMs) have demonstrated immense capabilities in understanding textual data and are increasingly being adopted to help researchers accelerate scientific discovery through knowledge extraction (information retrieval),…

计算机视觉与模式识别 · 计算机科学 2025-05-30 Robinson Umeike , Neil Getty , Fangfang Xia , Rick Stevens

The prediction of protein interactions (CPIs) is crucial for the in-silico screening step in drug discovery. Recently, many end-to-end representation learning methods using deep neural networks have achieved significantly better performance…

定量方法 · 定量生物学 2020-11-30 Jingtao Wang , Xi Li , Hua Zhang

Large Language Models (LLMs) have gained significant popularity in recent years for their ability to answer questions in various fields. However, these models have a tendency to "hallucinate" their responses, making it challenging to…

计算与语言 · 计算机科学 2024-11-25 Elizaveta Reganova , Peter Steinbach

Recent advancements in language models (LMs) have gained substantial attentions on their capability to generate human-like responses. Though exhibiting a promising future for various applications such as conversation AI, these LMs face…

机器学习 · 计算机科学 2023-09-14 Yufei Li , Zexin Li , Wei Yang , Cong Liu

Large Language Models (LLMs) have revolutionized the field of natural language processing, but they fall short in comprehending biological sequences such as proteins. To address this challenge, we propose InstructProtein, an innovative LLM…

生物大分子 · 定量生物学 2023-10-06 Zeyuan Wang , Qiang Zhang , Keyan Ding , Ming Qin , Xiang Zhuang , Xiaotong Li , Huajun Chen

Large language models (LLMs) have shown remarkable achievements in natural language processing tasks, producing high-quality outputs. However, LLMs still exhibit limitations, including the generation of factually incorrect information. In…

计算与语言 · 计算机科学 2023-11-17 Sridevi Wagle , Sai Munikoti , Anurag Acharya , Sara Smith , Sameera Horawalavithana

Automatically generating data visualizations in response to human utterances on datasets necessitates a deep semantic understanding of the data utterance, including implicit and explicit references to data attributes, visualization tasks,…

人工智能 · 计算机科学 2024-07-10 Hannah K. Bako , Arshnoor Bhutani , Xinyi Liu , Kwesi A. Cobbina , Zhicheng Liu

Recent advances in large language models (LLMs) have shown promising results in medical diagnosis, with some studies indicating superior performance compared to human physicians in specific scenarios. However, the diagnostic capabilities of…

人工智能 · 计算机科学 2025-03-24 Zhoujian Sun , Ziyi Liu , Cheng Luo , Jiebin Chu , Zhengxing Huang

Language Models (LMs) excel in understanding textual descriptions of proteins, as evident in biomedical question-answering tasks. However, their capability falters with raw protein data, such as amino acid sequences, due to a deficit in…

定量方法 · 定量生物学 2024-05-22 Zhiyuan Liu , An Zhang , Hao Fei , Enzhi Zhang , Xiang Wang , Kenji Kawaguchi , Tat-Seng Chua

Purpose: Large Language Models (LLMs) like GPT (Generative Pre-trained Transformer) from OpenAI and LLaMA (Large Language Model Meta AI) from Meta AI are increasingly recognized for their potential in the field of cheminformatics,…

生物大分子 · 定量生物学 2024-05-22 Shaghayegh Sadeghi , Alan Bui , Ali Forooghi , Jianguo Lu , Alioune Ngom

Advances in the general capabilities of large language models (LLMs) have led to their use for information retrieval, and as components in automated decision systems. A faithful representation of probabilistic reasoning in these models may…

人工智能 · 计算机科学 2025-04-21 Gabriel Freedman , Francesca Toni

Molecular property prediction has gained significant attention due to its transformative potential in multiple scientific disciplines. Conventionally, a molecule graph can be represented either as a graph-structured data or a SMILES text.…

机器学习 · 计算机科学 2023-07-17 Chen Qian , Huayi Tang , Zhirui Yang , Hong Liang , Yong Liu

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,…

机器学习 · 计算机科学 2025-05-23 Zhicong Wang , Zicheng Ma , Ziqiang Cao , Changlong Zhou , Jun Zhang , Yiqin Gao