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Within clinical, biomedical, and translational science, an increasing number of projects are adopting graphs for knowledge representation. Graph-based data models elucidate the interconnectedness between core biomedical concepts, enable…

Predicting reaction outcomes across continuous solvent composition ranges remains a critical challenge in organic synthesis and process chemistry. Traditional machine learning approaches often treat solvent identity as a discrete…

Machine Learning · Computer Science 2025-12-23 Hongsheng Xing , Qiuxin Si

The "RNA world" represents a novel frontier for the study of fundamental biological processes and human diseases and is paving the way for the development of new drugs tailored to the patient's biomolecular characteristics. Although…

Motivation: Molecular interaction networks summarize complex biological processes as graphs, whose structure is informative of biological function at multiple scales. Simultaneously, omics technologies measure the variation or activity of…

Quantitative Methods · Quantitative Biology 2020-12-24 Ramin Hasibi , Tom Michoel

Most existing knowledge graphs (KGs) in academic domains suffer from problems of insufficient multi-relational information, name ambiguity and improper data format for large-scale machine processing. In this paper, we present AceKG, a new…

Information Retrieval · Computer Science 2018-08-08 Ruijie Wang , Yuchen Yan , Jialu Wang , Yuting Jia , Ye Zhang , Weinan Zhang , Xinbing Wang

Sustainable agricultural production aligns with several sustainability goals established by the United Nations (UN). However, there is a lack of studies that comprehensively examine sustainable agricultural practices across various products…

Multimodal knowledge graph completion (MMKGC) aims to predict missing links in multimodal knowledge graphs (MMKGs) by leveraging information from various modalities alongside structural data. Existing MMKGC approaches primarily extend…

Computation and Language · Computer Science 2025-09-16 Haodi Ma , Dzmitry Kasinets , Daisy Zhe Wang

Knowledge graphs (KGs) are a popular way to organise information based on ontologies or schemas and have been used across a variety of scenarios from search to recommendation. Despite advances in KGs, representing knowledge remains a…

Artificial Intelligence · Computer Science 2023-10-10 Christos Theodoropoulos , Natasha Mulligan , Thaddeus Stappenbeck , Joao Bettencourt-Silva

Knowledge graphs (KGs) play a key role in promoting various multimedia and AI applications. However, with the explosive growth of multi-modal information, traditional knowledge graph completion (KGC) models cannot be directly applied. This…

Multimedia · Computer Science 2025-05-29 Linyu Li , Zhi Jin , Yichi Zhang , Dongming Jin , Chengfeng Dou , Yuanpeng He , Xuan Zhang , Haiyan Zhao

Accurate prediction of drug target interactions is critical for accelerating drug discovery and elucidating complex biological mechanisms. In this work, we frame drug target prediction as a link prediction task on heterogeneous biomedical…

Computation and Language · Computer Science 2025-03-12 Haji Gul , Abdul Ghani Naim , Ajaz Ahmad Bhat

In today's data-driven world, the ability to extract meaningful information from data is becoming essential for businesses, organizations and researchers alike. For that purpose, a wide range of tools and systems exist addressing…

Machine Learning · Computer Science 2026-03-24 Gerard Pons , Besim Bilalli , Anna Queralt

Database search is a widely used approach for identifying metabolites from tandem mass spectra (MS/MS). In this strategy, an experimental spectrum is matched against a user-specified database of candidate metabolites, and candidates are…

Machine Learning · Computer Science 2026-03-17 Meng Tsai , Alexzander Dwyer , Estelle Nuckels , Yingfeng Wang

Background: Conventional electrocardiogram (ECG) analysis faces a persistent dichotomy: expert-driven features ensure interpretability but lack sensitivity to latent patterns, while deep learning offers high accuracy but functions as a…

Quantitative Methods · Quantitative Biology 2026-01-23 Deyun Zhang , Jun Li , Shijia Geng , Yue Wang , Shijie Chen , Sumei Fan , Qinghao Zha , Shenda Hong

Motivated by the limitations of current spectral analysis methods-such as reliance on single-modality data, limited generalizability, and poor interpretability-we propose a novel multi-modal spectral analysis framework that integrates prior…

Machine Learning · Computer Science 2025-09-03 Jiheng Liang , Ziru Yu , Zujie Xie , Yuchen Guo , Yulan Guo , Xiangyang Yu

Sourcing and identification of new manufacturing partners is crucial for manufacturing system integrators to enhance agility and reduce risk through supply chain diversification in the global economy. The advent of advanced large language…

Artificial Intelligence · Computer Science 2024-04-11 Yunqing Li , Binil Starly

There has been rapid growth in biomedical literature, yet capturing the heterogeneity of the bibliographic information of these articles remains relatively understudied. Although graph mining research via heterogeneous graph neural networks…

Machine Learning · Computer Science 2023-08-28 Eric W Lee , Joyce C Ho

Even for a conservative estimate, 80% of enterprise data reside in unstructured files, stored in data lakes that accommodate heterogeneous formats. Classical search engines can no longer meet information seeking needs, especially when the…

Computation and Language · Computer Science 2024-06-06 Qiang Sun , Yuanyi Luo , Wenxiao Zhang , Sirui Li , Jichunyang Li , Kai Niu , Xiangrui Kong , Wei Liu

Recommender system (RS) devotes to predicting user preference to a given item and has been widely deployed in most web-scale applications. Recently, knowledge graph (KG) attracts much attention in RS due to its abundant connective…

Information Retrieval · Computer Science 2020-05-28 Yufei Feng , Binbin Hu , Fuyu Lv , Qingwen Liu , Zhiqiang Zhang , Wenwu Ou

Universal graph pre-training has emerged as a key paradigm in graph representation learning, offering a promising way to train encoders to learn transferable representations from unlabeled graphs and to effectively generalize across a wide…

Machine Learning · Computer Science 2026-02-27 Lianze Shan , Jitao Zhao , Dongxiao He , Yongqi Huang , Zhiyong Feng , Weixiong Zhang

Component-centric distributed graph processing platforms that use a bulk synchronous parallel (BSP) programming model have gained traction. These address the short-comings of Big Data abstractions/platforms like MapReduce/Hadoop for…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-05-13 Ravikant Dindokar , Neel Choudhury , Yogesh Simmhan