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Existing data-centric methods for protein science generally cannot sufficiently capture and leverage biology knowledge, which may be crucial for many protein tasks. To facilitate research in this field, we create ProteinKG65, a knowledge…

Quantitative Methods · Quantitative Biology 2022-11-15 Siyuan Cheng , Xiaozhuan Liang , Zhen Bi , Huajun Chen , Ningyu Zhang

Proteins play a vital role in biological processes and are indispensable for living organisms. Accurate representation of proteins is crucial, especially in drug development. Recently, there has been a notable increase in interest in…

Biomolecules · Quantitative Biology 2026-05-28 Dan Kalifa , Uriel Singer , Kira Radinsky

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein function or structure. Existing approaches usually pretrain protein language models on a large number of unlabeled amino acid…

Machine Learning · Computer Science 2023-01-31 Zuobai Zhang , Minghao Xu , Arian Jamasb , Vijil Chenthamarakshan , Aurelie Lozano , Payel Das , Jian Tang

Geometric deep learning has recently achieved great success in non-Euclidean domains, and learning on 3D structures of large biomolecules is emerging as a distinct research area. However, its efficacy is largely constrained due to the…

Machine Learning · Computer Science 2023-10-31 Fang Wu , Lirong Wu , Dragomir Radev , Jinbo Xu , Stan Z. Li

A large number of protein sequences are becoming available through the application of novel high-throughput sequencing technologies. Experimental functional characterization of these proteins is time-consuming and expensive, and is often…

Genomics · Quantitative Biology 2017-09-28 Maxat Kulmanov , Mohammed Asif Khan , Robert Hoehndorf

Proteins perform much of the work in living organisms, and consequently the development of efficient computational methods for protein representation is essential for advancing large-scale biological research. Most current approaches…

Quantitative Methods · Quantitative Biology 2023-06-09 Francesco Ceccarelli , Lorenzo Giusti , Sean B. Holden , Pietro Liò

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…

Biomolecules · Quantitative Biology 2023-10-06 Zeyuan Wang , Qiang Zhang , Keyan Ding , Ming Qin , Xiang Zhuang , Xiaotong Li , Huajun Chen

Protein representation learning aims to learn informative protein embeddings capable of addressing crucial biological questions, such as protein function prediction. Although sequence-based transformer models have shown promising results by…

Quantitative Methods · Quantitative Biology 2024-10-22 Michail Chatzianastasis , Yang Zhang , George Dasoulas , Michalis Vazirgiannis

Protein representation learning methods have shown great potential to yield useful representation for many downstream tasks, especially on protein classification. Moreover, a few recent studies have shown great promise in addressing…

Machine Learning · Computer Science 2023-04-11 Can Chen , Jingbo Zhou , Fan Wang , Xue Liu , Dejing Dou

Proteins are central to biological systems, participating as building blocks across all forms of life. Despite advancements in understanding protein functions through protein sequence analysis, there remains potential for further…

Machine Learning · Computer Science 2025-08-29 Yunqing Liu , Wenqi Fan , Xiaoyong Wei , Qing Li

Accurate prediction of protein function is essential for elucidating molecular mechanisms and advancing biological and therapeutic discovery. Yet experimental annotation lags far behind the rapid growth of protein sequence data.…

Biomolecules · Quantitative Biology 2026-03-27 Mehmet Efe Akça , Gökçe Uludoğan , Arzucan Özgür , İnci M. Baytaş

We introduce ProteinWorkshop, a comprehensive benchmark suite for representation learning on protein structures with Geometric Graph Neural Networks. We consider large-scale pre-training and downstream tasks on both experimental and…

Ontology Alignment (OA) is essential for enabling semantic interoperability across heterogeneous knowledge systems. While recent advances have focused on large language models (LLMs) for capturing contextual semantics, this work revisits…

Artificial Intelligence · Computer Science 2025-10-01 Hamed Babaei Giglou , Jennifer D'Souza , Sören Auer , Mahsa Sanaei

The present gap between the amount of available protein sequence due to the development of next generation sequencing technology (NGS) and slow and expensive experimental extraction of useful information like annotation of protein sequence…

Computer Vision and Pattern Recognition · Computer Science 2018-11-02 Sheikh Muhammad Saiful Islam , Md Mahedi Hasan

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein functions. Recent sequence representation learning methods based on Protein Language Models (PLMs) excel in sequence-based…

Quantitative Methods · Quantitative Biology 2023-10-19 Zuobai Zhang , Chuanrui Wang , Minghao Xu , Vijil Chenthamarakshan , Aurélie Lozano , Payel Das , Jian Tang

Protein language models have emerged as powerful tools for sequence generation, offering substantial advantages in functional optimization and denovo design. However, these models also present significant risks of generating harmful protein…

Artificial Intelligence · Computer Science 2025-07-16 Yuhao Wang , Keyan Ding , Kehua Feng , Zeyuan Wang , Ming Qin , Xiaotong Li , Qiang Zhang , Huajun Chen

Existing pre-trained models for knowledge-graph-to-text (KG-to-text) generation simply fine-tune text-to-text pre-trained models such as BART or T5 on KG-to-text datasets, which largely ignore the graph structure during encoding and lack…

Computation and Language · Computer Science 2021-06-22 Pei Ke , Haozhe Ji , Yu Ran , Xin Cui , Liwei Wang , Linfeng Song , Xiaoyan Zhu , Minlie Huang

Retrieval-Augmented Generation (RAG) systems combine Large Language Models (LLMs) with external knowledge, and their performance depends heavily on how that knowledge is represented. This study investigates how different Knowledge Graph…

Information Retrieval · Computer Science 2025-11-11 Tiago da Cruz , Bernardo Tavares , Francisco Belo

Understanding biological processes, drug development, and biotechnological advancements requires a detailed analysis of protein structures and functions, a task that is inherently complex and time-consuming in traditional protein research.…

Artificial Intelligence · Computer Science 2025-04-21 Yijia Xiao , Edward Sun , Yiqiao Jin , Qifan Wang , Wei Wang

We propose an effective method to improve Protein Function Prediction (PFP) utilizing hierarchical features of Gene Ontology (GO) terms. Our method consists of a language model for encoding the protein sequence and a Graph Convolutional…

Artificial Intelligence · Computer Science 2021-12-07 Kyudam Choi , Yurim Lee , Cheongwon Kim , Minsung Yoon
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