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Drug repurposing is often framed as a candidate identification task, but existing approaches provide limited guidance for distinguishing biologically plausible candidates from historically well-connected ones. Here we introduce DrugKLM, a…

The knowledge graph (KG) is an essential form of knowledge representation that has grown in prominence in recent years. Because it concentrates on nominal entities and their relationships, traditional knowledge graphs are static and…

Artificial Intelligence · Computer Science 2022-09-14 Feng Zhao , Ziqi Zhang , Donglin Wang

This comprehensive review aims to provide an overview of the current state of Healthcare Knowledge Graphs (HKGs), including their construction, utilization models, and applications across various healthcare and biomedical research domains.…

Designing a new clinical trial entails many decisions, such as defining a cohort and setting the study objectives to name a few, and therefore can benefit from recommendations based on exhaustive mining of past clinical trial records. Here,…

Artificial Intelligence · Computer Science 2023-09-29 Murthy V. Devarakonda , Smita Mohanty , Raja Rao Sunkishala , Nag Mallampalli , Xiong Liu

Off-the-shelf biomedical embeddings obtained from the recently released various pre-trained language models (such as BERT, XLNET) have demonstrated state-of-the-art results (in terms of accuracy) for the various natural language…

Computation and Language · Computer Science 2020-12-22 Ishani Mondal

Recent advancements in generative models have established state-of-the-art benchmarks in the generation of molecules and novel drug candidates. Despite these successes, a significant gap persists between generative models and the…

Machine Learning · Computer Science 2024-10-10 Aditya Malusare , Vaneet Aggarwal

The role of pharmacists is evolving from medicine dispensing to delivering comprehensive pharmaceutical services within multidisciplinary healthcare teams. Central to this shift is access to accurate, up-to-date medicinal product…

Artificial Intelligence · Computer Science 2025-06-24 Lizzy Farrugia , Lilian M. Azzopardi , Jeremy Debattista , Charlie Abela

Knowledge Graphs (KGs) are increasingly used to represent and explore complex, interconnected data across diverse domains. However, existing KG visualization systems remain limited because they fail to provide the context of user questions.…

Human-Computer Interaction · Computer Science 2026-04-14 Rumali Perera , Xiaoqi Wang , Han-wei Shen

While recent debiasing methods for Scene Graph Generation (SGG) have shown impressive performance, these efforts often attribute model bias solely to the long-tail distribution of relationships, overlooking the more profound causes stemming…

Computer Vision and Pattern Recognition · Computer Science 2025-03-25 Li Liu , Shuzhou Sun , Shuaifeng Zhi , Fan Shi , Zhen Liu , Janne Heikkilä , Yongxiang Liu

Intensive Care Units (ICU) require comprehensive patient data integration for enhanced clinical outcome predictions, crucial for assessing patient conditions. Recent deep learning advances have utilized patient time series data, and fusion…

Machine Learning · Computer Science 2023-11-14 Samyak Jain , Manuel Burger , Gunnar Rätsch , Rita Kuznetsova

In the task of Knowledge Graph Completion (KGC), the existing datasets and their inherent subtasks carry a wealth of shared knowledge that can be utilized to enhance the representation of knowledge triplets and overall performance. However,…

Computation and Language · Computer Science 2024-05-14 Yongxue Shan , Jie Zhou , Jie Peng , Xin Zhou , Jiaqian Yin , Xiaodong Wang

Heterogeneity and comorbidity are two interwoven challenges associated with various healthcare problems that greatly hampered research on developing effective treatment and understanding of the underlying neurobiological mechanism. Very few…

Methodology · Statistics 2023-06-27 Richard A Watson , Hengrui Cai , Xinming An , Samuel McLean , Rui Song

Knowledge graph completion (KGC) aims to alleviate the inherent incompleteness of knowledge graphs (KGs), which is a critical task for various applications, such as recommendations on the web. Although knowledge graph embedding (KGE) models…

Artificial Intelligence · Computer Science 2024-04-08 Tengfei Ma , Xiang song , Wen Tao , Mufei Li , Jiani Zhang , Xiaoqin Pan , Jianxin Lin , Bosheng Song , xiangxiang Zeng

Reasoning on the knowledge graph (KG) aims to infer new facts from existing ones. Methods based on the relational path have shown strong, interpretable, and transferable reasoning ability. However, paths are naturally limited in capturing…

Artificial Intelligence · Computer Science 2022-01-24 Yongqi Zhang , Quanming Yao

Medication recommendation aims to integrate patients' long-term health records to provide accurate and safe medication combinations for specific health states. Existing methods often fail to deeply explore the true causal relationships…

Information Retrieval · Computer Science 2024-10-31 Shunpan Liang , Xiang Li , Shi Mu , Chen Li , Yu Lei , Yulei Hou , Tengfei Ma

Molecular representation learning is pivotal in predicting molecular properties and advancing drug design. Traditional methodologies, which predominantly rely on homogeneous graph encoding, are limited by their inability to integrate…

Machine Learning · Computer Science 2025-03-24 Mukun Chen , Jia Wu , Shirui Pan , Fu Lin , Bo Du , Xiuwen Gong , Wenbin Hu

Knowledge Graph has been proven effective in modeling structured information and conceptual knowledge, especially in the medical domain. However, the lack of high-quality annotated corpora remains a crucial problem for advancing the…

Computation and Language · Computer Science 2021-09-22 Dejie Chang , Mosha Chen , Chaozhen Liu , Liping Liu , Dongdong Li , Wei Li , Fei Kong , Bangchang Liu , Xiaobin Luo , Ji Qi , Qiao Jin , Bin Xu

Algorithms for constraint-based causal discovery select graphical causal models among a space of possible candidates (e.g., all directed acyclic graphs) by executing a sequence of conditional independence tests. These may be used to inform…

Methodology · Statistics 2025-09-19 Ting-Hsuan Chang , Zijian Guo , Daniel Malinsky

Graphical causal models are an important tool for knowledge discovery because they can represent both the causal relations between variables and the multivariate probability distributions over the data. Once learned, causal graphs can be…

Artificial Intelligence · Computer Science 2017-04-11 Andrew J Sedgewick , Joseph D. Ramsey , Peter Spirtes , Clark Glymour , Panayiotis V. Benos

Inferring the effect of interventions within complex systems is a fundamental problem of statistics. A widely studied approach employs structural causal models that postulate noisy functional relations among a set of interacting variables.…

Methodology · Statistics 2024-02-14 David Strieder , Mathias Drton
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