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Related papers: OntoProtein: Protein Pretraining With Gene Ontolog…

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This paper shows how to construct knowledge graphs (KGs) from pre-trained language models (e.g., BERT, GPT-2/3), without human supervision. Popular KGs (e.g, Wikidata, NELL) are built in either a supervised or semi-supervised manner,…

Computation and Language · Computer Science 2020-10-26 Chenguang Wang , Xiao Liu , Dawn Song

As generative models become powerful, concerns around transparency, accountability, and copyright violations have intensified. Understanding how specific training data contributes to a model's output is critical. We introduce a framework…

Artificial Intelligence · Computer Science 2025-12-03 Theodoros Aivalis , Iraklis A. Klampanos , Antonis Troumpoukis , Joemon M. Jose

Recent advances in generative modeling show that pretrained representations can improve generation as conditioning features or alignment targets. Motivated by this, we study protein representations for predicting structures beyond…

Biomolecules · Quantitative Biology 2026-05-27 Taewon Kim , Hyosoon Jang , Hyunjin Seo , Seonghwan Seo , Hyeongwoo Kim , Wonho Zhung , Mingyeong Shin , Wooyoun Kim , Sungsoo Ahn

Protein is linked to almost every life process. Therefore, analyzing the biological structure and property of protein sequences is critical to the exploration of life, as well as disease detection and drug discovery. Traditional protein…

Machine Learning · Computer Science 2021-12-08 Yijia Xiao , Jiezhong Qiu , Ziang Li , Chang-Yu Hsieh , Jie Tang

Fine-grained entity typing (FET), which assigns entities in text with context-sensitive, fine-grained semantic types, is a basic but important task for knowledge extraction from unstructured text. FET has been studied extensively in natural…

Computation and Language · Computer Science 2024-06-12 Tanay Komarlu , Minhao Jiang , Xuan Wang , Jiawei Han

By folding into particular 3D structures, proteins play a key role in living beings. To learn meaningful representation from a protein structure for downstream tasks, not only the global backbone topology but the local fine-grained…

Biomolecules · Quantitative Biology 2025-02-05 Jiahan Li , Shitong Luo , Congyue Deng , Chaoran Cheng , Jiaqi Guan , Leonidas Guibas , Jian Peng , Jianzhu Ma

Proteins, essential to biological systems, perform functions intricately linked to their three-dimensional structures. Understanding the relationship between protein structures and their amino acid sequences remains a core challenge in…

Quantitative Methods · Quantitative Biology 2024-11-04 Liang He , Peiran Jin , Yaosen Min , Shufang Xie , Lijun Wu , Tao Qin , Xiaozhuan Liang , Kaiyuan Gao , Yuliang Jiang , Tie-Yan Liu

Incorporating factual knowledge into pre-trained language models (PLM) such as BERT is an emerging trend in recent NLP studies. However, most of the existing methods combine the external knowledge integration module with a modified…

Computation and Language · Computer Science 2022-05-06 Yinquan Lu , Haonan Lu , Guirong Fu , Qun Liu

Recent trends in NLP utilize knowledge graphs (KGs) to enhance pretrained language models by incorporating additional knowledge from the graph structures to learn domain-specific terminology or relationships between documents that might…

Computation and Language · Computer Science 2025-10-08 Anastasia Zhukova , Jonas Lührs , Christian E. Lobmüller , Bela Gipp

Gene Ontology (GO) terms are frequently used to score alignments between protein-protein interaction (PPI) networks. Methods exist to measure the GO similarity between two proteins in isolation, but pairs of proteins in a network alignment…

Molecular Networks · Quantitative Biology 2017-04-06 Wayne B. Hayes , Nil Mamano

Generative modeling has become a central paradigm in protein research, extending machine learning beyond structure prediction toward sequence design, backbone generation, inverse folding, and biomolecular interaction modeling. However, the…

Machine Learning · Computer Science 2026-03-30 Senura Hansaja Wanasekara , Minh-Duong Nguyen , Xiaochen Liu , Nguyen H. Tran , Ken-Tye Yong

Semantic embedding has been widely investigated for aligning knowledge graph (KG) entities. Current methods have explored and utilized the graph structure, the entity names and attributes, but ignore the ontology (or ontological schema)…

Computation and Language · Computer Science 2021-05-25 Yuejia Xiang , Ziheng Zhang , Jiaoyan Chen , Xi Chen , Zhenxi Lin , Yefeng Zheng

Ontology-based approaches for predicting gene-disease associations include the more classical semantic similarity methods and more recently knowledge graph embeddings. While semantic similarity is typically restricted to hierarchical…

Machine Learning · Computer Science 2021-06-01 Susana Nunes , Rita T. Sousa , Catia Pesquita

Deep learning has deeply influenced protein science, enabling breakthroughs in predicting protein properties, higher-order structures, and molecular interactions. This paper introduces DeepProtein, a comprehensive and user-friendly deep…

Machine Learning · Computer Science 2025-06-17 Jiaqing Xie , Tianfan Fu

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…

Quantitative Methods · Quantitative Biology 2024-05-22 Zhiyuan Liu , An Zhang , Hao Fei , Enzhi Zhang , Xiang Wang , Kenji Kawaguchi , Tat-Seng Chua

Accurate protein function prediction requires integrating heterogeneous intrinsic signals (e.g., sequence and structure) with noisy extrinsic contexts (e.g., protein-protein interactions and GO term annotations). However, two key challenges…

Machine Learning · Computer Science 2025-10-28 Runjie Zheng , Zhen Wang , Anjie Qiao , Jiancong Xie , Jiahua Rao , Yuedong Yang

Protein language models (pLMs) pre-trained on vast protein sequence databases excel at various downstream tasks but often lack the structural knowledge essential for some biological applications. To address this, we introduce a method to…

Knowledge graphs and ontologies represent entities and their relationships in a structured way, having gained significance in the development of modern AI applications. Integrating these semantic resources with machine learning models often…

Machine Learning · Computer Science 2025-09-10 Hamid Ahmad , Heiko Paulheim , Rita T. Sousa

Protein engineering is experiencing a paradigmatic shift through the integration of geometric deep learning into computational design workflows. While traditional strategies, such as rational design and directed evolution, have enabled…

Personal service robots are deployed to support daily living in domestic environments, particularly for elderly and individuals requiring assistance. These robots must perceive complex and dynamic surroundings, understand tasks, and execute…

Artificial Intelligence · Computer Science 2025-07-15 Margherita Martorana , Francesca Urgese , Mark Adamik , Ilaria Tiddi