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Diabetes is a worldwide health issue affecting millions of people. Machine learning methods have shown promising results in improving diabetes prediction, particularly through the analysis of diverse data types, namely gene expression data.…

Machine Learning · Computer Science 2024-04-24 Rita T. Sousa , Heiko Paulheim

Designing accurate deep learning models for molecular property prediction plays an increasingly essential role in drug and material discovery. Recently, due to the scarcity of labeled molecules, self-supervised learning methods for learning…

Biomolecules · Quantitative Biology 2022-06-08 Han Li , Dan Zhao , Jianyang Zeng

Learning from 3D protein structures has gained wide interest in protein modeling and structural bioinformatics. Unfortunately, the number of available structures is orders of magnitude lower than the training data sizes commonly used in…

Biomolecules · Quantitative Biology 2022-06-01 Pedro Hermosilla , Timo Ropinski

The ability of knowledge graphs to represent complex relationships at scale has led to their adoption for various needs including knowledge representation, question-answering, and recommendation systems. Knowledge graphs are often…

Computation and Language · Computer Science 2023-05-18 Jason Youn , Ilias Tagkopoulos

Learning meaningful protein representation is important for a variety of biological downstream tasks such as structure-based drug design. Having witnessed the success of protein sequence pretraining, pretraining for structural data which is…

Machine Learning · Computer Science 2023-02-23 Yufei Huang , Lirong Wu , Haitao Lin , Jiangbin Zheng , Ge Wang , Stan Z. Li

Extracting relevant and structured knowledge from large, complex technical documents within the Reliability and Maintainability (RAM) domain is labor-intensive and prone to errors. Our work addresses this challenge by presenting OntoKGen, a…

Artificial Intelligence · Computer Science 2024-12-11 Mohammad Sadeq Abolhasani , Rong Pan

Graphs as a type of data structure have recently attracted significant attention. Representation learning of geometric graphs has achieved great success in many fields including molecular, social, and financial networks. It is natural to…

Machine Learning · Computer Science 2021-07-08 Tian Xia , Wei-Shinn Ku

Graph neural networks (GNNs) have emerged as powerful tools for learning protein structures by capturing spatial relationships at the residue level. However, existing GNN-based methods often face challenges in learning multiscale…

Machine Learning · Computer Science 2026-02-03 Shih-Hsin Wang , Yuhao Huang , Taos Transue , Justin Baker , Jonathan Forstater , Thomas Strohmer , Bao Wang

Recent advances in natural language processing (NLP) owe their success to pre-training language models on large amounts of unstructured data. Still, there is an increasing effort to combine the unstructured nature of LMs with structured…

Computation and Language · Computer Science 2023-12-22 Juraj Vladika , Alexander Fichtl , Florian Matthes

Fine-tuning pre-trained language models (PLMs) has recently shown a potential to improve knowledge graph completion (KGC). However, most PLM-based methods focus solely on encoding textual information, neglecting the long-tailed nature of…

Computation and Language · Computer Science 2025-02-03 Youmin Ko , Hyemin Yang , Taeuk Kim , Hyunjoon Kim

Knowledge graph embedding models (KGEMs) have gained considerable traction in recent years. These models learn a vector representation of knowledge graph entities and relations, a.k.a. knowledge graph embeddings (KGEs). Learning versatile…

Artificial Intelligence · Computer Science 2023-10-20 Nicolas Hubert , Heiko Paulheim , Pierre Monnin , Armelle Brun , Davy Monticolo

Knowledge graphs (KGs) are crucial for representing and reasoning over structured information, supporting a wide range of applications such as information retrieval, question answering, and decision-making. However, their effectiveness is…

Computation and Language · Computer Science 2024-12-13 Udari Madhushani Sehwag , Kassiani Papasotiriou , Jared Vann , Sumitra Ganesh

Knowledge Graph Embeddings (KGEs) have been intensively explored in recent years due to their promise for a wide range of applications. However, existing studies focus on improving the final model performance without acknowledging the…

Machine Learning · Computer Science 2022-01-25 Xutan Peng , Guanyi Chen , Chenghua Lin , Mark Stevenson

Deep learning approaches have produced substantial breakthroughs in fields such as image classification and natural language processing and are making rapid inroads in the area of protein design. Many generative models of proteins have been…

Machine Learning · Computer Science 2021-09-29 Alexey Strokach , Philip M. Kim

Understanding the relationships between protein sequence, structure and function is a long-standing biological challenge with manifold implications from drug design to our understanding of evolution. Recently, protein language models have…

Quantitative Methods · Quantitative Biology 2024-01-29 Dexiong Chen , Philip Hartout , Paolo Pellizzoni , Carlos Oliver , Karsten Borgwardt

In this paper, we present Ontolearn-a framework for learning OWL class expressions over large knowledge graphs. Ontolearn contains efficient implementations of recent stateof-the-art symbolic and neuro-symbolic class expression learners…

Pre-trained language representation models (PLMs) cannot well capture factual knowledge from text. In contrast, knowledge embedding (KE) methods can effectively represent the relational facts in knowledge graphs (KGs) with informative…

Computation and Language · Computer Science 2020-11-24 Xiaozhi Wang , Tianyu Gao , Zhaocheng Zhu , Zhengyan Zhang , Zhiyuan Liu , Juanzi Li , Jian Tang

A large-scale knowledge graph enhances reproducibility in biomedical data discovery by providing a standardized, integrated framework that ensures consistent interpretation across diverse datasets. It improves generalizability by connecting…

Methodology · Statistics 2024-10-11 Suqi Liu , Tianxi Cai , Xiaoou Li

Large Language Models (LLMs) have achieved remarkable success but remain data-inefficient, especially when learning from small, specialized corpora with limited and proprietary data. Existing synthetic data generation methods for continue…

Computation and Language · Computer Science 2025-09-16 Shengjie Ma , Xuhui Jiang , Chengjin Xu , Cehao Yang , Liyu Zhang , Jian Guo

Discovery gene-disease links is important in biology and medicine areas, enabling disease identification and drug repurposing. Machine learning approaches accelerate this process by leveraging biological knowledge represented in ontologies…

Machine Learning · Computer Science 2025-04-14 Catarina Canastra , Cátia Pesquita