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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

Some of the most successful knowledge graph embedding (KGE) models for link prediction -- CP, RESCAL, TuckER, ComplEx -- can be interpreted as energy-based models. Under this perspective they are not amenable for exact maximum-likelihood…

Machine Learning · Computer Science 2024-01-17 Lorenzo Loconte , Nicola Di Mauro , Robert Peharz , Antonio Vergari

Knowledge graph completion (KGC) seeks to predict missing entities (e.g., heads or tails) or relationships in knowledge graphs (KGs), which often contain incomplete data. Traditional embedding-based methods, such as TransE and ComplEx, have…

Computation and Language · Computer Science 2025-03-11 Haji Gul , Ajaz Ahmad Bhat , Abdul Ghani Haji Naim

Knowledge Graphs (KG) and associated Knowledge Graph Embedding (KGE) models have recently begun to be explored in the context of drug discovery and have the potential to assist in key challenges such as target identification. In the drug…

Biomolecules · Quantitative Biology 2022-06-01 Stephen Bonner , Ian P Barrett , Cheng Ye , Rowan Swiers , Ola Engkvist , Charles Tapley Hoyt , William L Hamilton

This study aims to optimize the existing retrieval-augmented generation model (RAG) by introducing a graph structure to improve the performance of the model in dealing with complex knowledge reasoning tasks. The traditional RAG model has…

Information Retrieval · Computer Science 2024-11-07 Yuxin Dong , Shuo Wang , Hongye Zheng , Jiajing Chen , Zhenhong Zhang , Chihang Wang

Graph Neural Networks (GNNs) are important across different domains, such as social network analysis and recommendation systems, due to their ability to model complex relational data. This paper introduces subgraph queries as a new task for…

Machine Learning · Computer Science 2024-08-09 Erfaneh Mahmoudzadeh , Parmis Naddaf , Kiarash Zahirnia , Oliver Schulte

Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over recent years. Instance-level GNN explanation aims to discover critical input elements, like nodes or edges, that the target GNN…

Machine Learning · Computer Science 2022-12-20 Tianxiang Zhao , Dongsheng Luo , Xiang Zhang , Suhang Wang

Graph Neural Networks (GNNs) are effective for processing graph-structured data but face challenges with large graphs due to high memory requirements and inefficient sparse matrix operations on GPUs. Quantum Computing (QC) offers a…

Machine Learning · Computer Science 2025-11-04 Mikel Casals , Vasilis Belis , Elias F. Combarro , Eduard Alarcón , Sofia Vallecorsa , Michele Grossi

Chest radiographs are primarily employed for the screening of cardio, thoracic and pulmonary conditions. Machine learning based automated solutions are being developed to reduce the burden of routine screening on Radiologists, allowing them…

Computer Vision and Pattern Recognition · Computer Science 2020-04-27 Arunava Chakravarty , Tandra Sarkar , Nirmalya Ghosh , Ramanathan Sethuraman , Debdoot Sheet

Information extraction methods proved to be effective at triple extraction from structured or unstructured data. The organization of such triples in the form of (head entity, relation, tail entity) is called the construction of Knowledge…

Artificial Intelligence · Computer Science 2022-08-25 Mohamad Zamini , Hassan Reza , Minou Rabiei

Knowledge graph (KG) reasoning is an important problem for knowledge graphs. In this paper, we propose a novel and principled framework called \textbf{RulE} (stands for {Rul}e {E}mbedding) to effectively leverage logical rules to enhance KG…

Artificial Intelligence · Computer Science 2024-05-21 Xiaojuan Tang , Song-Chun Zhu , Yitao Liang , Muhan Zhang

Cardinality estimation (CardEst) plays a significant role in generating high-quality query plans for a query optimizer in DBMS. In the last decade, an increasing number of advanced CardEst methods (especially ML-based) have been proposed…

Quantum Graph Neural Networks (QGNNs) offer a promising approach to combining quantum computing with graph-structured data processing. While classical Graph Neural Networks (GNNs) are scalable and robust, existing QGNNs often lack…

Quantum Physics · Physics 2026-01-13 Arthur M. Faria , Ignacio F. Graña , Savvas Varsamopoulos

Representation Learning on Knowledge Graphs (KGs) is essential for downstream tasks. The dominant approach, KG Embedding (KGE), represents entities with independent vectors and faces the scalability challenge. Recent studies propose an…

Artificial Intelligence · Computer Science 2023-10-25 Jiaang Li , Quan Wang , Yi Liu , Licheng Zhang , Zhendong Mao

Graph neural networks (GNNs) extend convolutional neural networks (CNNs) to graph-based data. A question that arises is how much performance improvement does the underlying graph structure in the GNN provide over the CNN (that ignores this…

Machine Learning · Computer Science 2020-12-17 Lavender Yao Jiang , John Shi , Mark Cheung , Oren Wright , José M. F. Moura

Graph embedding is an important approach for graph analysis tasks such as node classification and link prediction. The goal of graph embedding is to find a low dimensional representation of graph nodes that preserves the graph information.…

Machine Learning · Computer Science 2019-08-27 Mahsa Ghorbani , Mahdieh Soleymani Baghshah , Hamid R. Rabiee

Graph Convolutional Networks (GCNs) have recently been shown to be quite successful in modeling graph-structured data. However, the primary focus has been on handling simple undirected graphs. Multi-relational graphs are a more general and…

Machine Learning · Computer Science 2020-01-22 Shikhar Vashishth , Soumya Sanyal , Vikram Nitin , Partha Talukdar

Graph neural networks (GNNs) have various practical applications, such as drug discovery, recommendation engines, and chip design. However, GNNs lack transparency as they cannot provide understandable explanations for their predictions. To…

Machine Learning · Computer Science 2023-06-09 Samidha Verma , Burouj Armgaan , Sourav Medya , Sayan Ranu

Medical knowledge bases (KBs), distilled from biomedical literature and regulatory actions, are expected to provide high-quality information to facilitate clinical decision making. Entity disambiguation (also referred to as entity linking)…

Information Retrieval · Computer Science 2021-04-06 Alina Vretinaris , Chuan Lei , Vasilis Efthymiou , Xiao Qin , Fatma Özcan

Knowledge Graph Embedding (KGE) aims to represent entities and relations of knowledge graph in a low-dimensional continuous vector space. Recent works focus on incorporating structural knowledge with additional information, such as entity…

Computation and Language · Computer Science 2018-08-14 Kai Wang , Yu Liu , Xiujuan Xu , Dan Lin