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Information extraction and data mining in biochemical literature is a daunting task that demands resource-intensive computation and appropriate means to scale knowledge ingestion. Being able to leverage this immense source of technical…

Representation learning provides new and powerful graph analytical approaches and tools for the highly valued data science challenge of mining knowledge graphs. Since previous graph analytical methods have mostly focused on homogeneous…

Information Retrieval · Computer Science 2019-05-29 Zheng Gao , Gang Fu , Chunping Ouyang , Satoshi Tsutsui , Xiaozhong Liu , Jeremy Yang , Christopher Gessner , Brian Foote , David Wild , Qi Yu , Ying Ding

Clinical evidence encompasses the associations and impacts between patients, interventions (such as drugs or physiotherapy), problems, and outcomes. The goal of recommending clinical evidence is to provide medical practitioners with…

Computation and Language · Computer Science 2023-04-05 Maolin Luo , Xiang Zhang

This letter illustrates the opinion of the molecular dynamics (MD) community on the need to adopt a new FAIR paradigm for the use of molecular simulations. It highlights the necessity of a collaborative effort to create, establish, and…

Biomolecules · Quantitative Biology 2025-04-04 Rommie Amaro , Johan Åqvist , Ivet Bahar , Federica Battistini , Adam Bellaiche , Daniel Beltran , Philip C. Biggin , Massimiliano Bonomi , Gregory R. Bowman , Richard Bryce , Giovanni Bussi , Paolo Carloni , David Case , Andrea Cavalli , Chie-En A. Chang , Thomas E. Cheatham , Margaret S. Cheung , Cris Chipot , Lillian T. Chong , Preeti Choudhary , Gerardo Andres Cisneros , Cecilia Clementi , Rosana Collepardo-Guevara , Peter Coveney , Roberto Covino , T. Daniel Crawford , Matteo Dal Peraro , Bert de Groot , Lucie Delemotte , Marco De Vivo , Jonathan Essex , Franca Fraternali , Jiali Gao , Josep Lluís Gelpí , Francesco Luigi Gervasio , Fernando Danilo Gonzalez-Nilo , Helmut Grubmüller , Marina Guenza , Horacio V. Guzman , Sarah Harris , Teresa Head-Gordon , Rigoberto Hernandez , Adam Hospital , Niu Huang , Xuhui Huang , Gerhard Hummer , Javier Iglesias-Fernández , Jan H. Jensen , Shantenu Jha , Wanting Jiao , William L. Jorgensen , Shina Caroline Lynn Kamerlin , Syma Khalid , Charles Laughton , Michael Levitt , Vittorio Limongelli , Erik Lindahl , Kresten Lindorff-Larsen , Sharon Loverde , Magnus Lundborg , Yun Lyna Luo , Francisco Javier Luque , Charlotte I. Lynch , Alexander MacKerell , Alessandra Magistrato , Siewert J. Marrink , Hugh Martin , J. Andrew McCammon , Kenneth Merz , Vicent Moliner , Adrian Mulholland , Sohail Murad , Athi N. Naganathan , Shikha Nangia , Frank Noe , Agnes Noy , Julianna Oláh , Megan O'Mara , Mary Jo Ondrechen , José N. Onuchic , Alexey Onufriev , Silvia Osuna , Anna R. Panchenko , Sergio Pantano , Carol Parish , Michele Parrinello , Alberto Perez , Tomas Perez-Acle , Juan R. Perilla , B. Montgomery Pettitt , Adriana Pietropalo , Jean-Philip Piquemal , Adolfo Poma , Matej Praprotnik , Maria J. Ramos , Pengyu Ren , Nathalie Reuter , Adrian Roitberg , Edina Rosta , Carme Rovira , Benoit Roux , Ursula Röthlisberger , Karissa Y. Sanbonmatsu , Tamar Schlick , Alexey K. Shaytan , Carlos Simmerling , Jeremy C. Smith , Yuji Sugita , Katarzyna Świderek , Makoto Taiji , Peng Tao , D. Peter Tieleman , Irina G. Tikhonova , Julian Tirado-Rives , Inaki Tunón , Marc W. Van Der Kamp , David Van der Spoel , Sameer Velankar , Gregory A. Voth , Rebecca Wade , Ariel Warshel , Valerie Vaissier Welborn , Stacey Wetmore , Travis J. Wheeler , Chung F. Wong , Lee-Wei Yang , Martin Zacharias , Modesto Orozco

Knowledge graph embedding plays an important role in knowledge representation, reasoning, and data mining applications. However, for multiple cross-domain knowledge graphs, state-of-the-art embedding models cannot make full use of the data…

Machine Learning · Computer Science 2021-08-17 Hao Peng , Haoran Li , Yangqiu Song , Vincent Zheng , Jianxin Li

Ensuring equitable Artificial Intelligence (AI) in healthcare demands systems that make unbiased decisions across all demographic groups, bridging technical innovation with ethical principles. Foundation Models (FMs), trained on vast…

Computer Vision and Pattern Recognition · Computer Science 2026-01-15 Dilermando Queiroz , Anderson Carlos , André Anjos , Lilian Berton

Numerous methods have been implemented that pursue fairness with respect to sensitive features by mitigating biases in machine learning. Yet, the problem settings that each method tackles vary significantly, including the stage of…

Machine Learning · Computer Science 2024-10-23 MaryBeth Defrance , Maarten Buyl , Tijl De Bie

Most of the existing medicine recommendation systems that are mainly based on electronic medical records (EMRs) are significantly assisting doctors to make better clinical decisions benefiting both patients and caregivers. Even though the…

Information Retrieval · Computer Science 2020-12-01 Fang Gong , Meng Wang , Haofen Wang , Sen Wang , Mengyue Liu

Knowledge graph embedding aims at translating the knowledge graph into numerical representations by transforming the entities and relations into continuous low-dimensional vectors. Recently, many methods [1, 5, 3, 2, 6] have been proposed…

Artificial Intelligence · Computer Science 2017-04-06 Xiao-Fan Niu , Wu-Jun Li

The development of a company often entails the emergence of autonomous data sources with different structural and technological organization. This can lead to the inability of data analysis at a high level and a violation of the integrity…

Information Retrieval · Computer Science 2022-01-14 A. Kalinin , E. Shikov , D. Vaganov , A. Lysenko

Algorithmic fairness is becoming increasingly important in data mining and machine learning. Among others, a foundational notation is group fairness. The vast majority of the existing works on group fairness, with a few exceptions,…

Machine Learning · Computer Science 2023-01-03 Jian Kang , Tiankai Xie , Xintao Wu , Ross Maciejewski , Hanghang Tong

Knowledge Graphs are an emerging form of knowledge representation. While Google coined the term Knowledge Graph first and promoted it as a means to improve their search results, they are used in many applications today. In a knowledge…

Artificial Intelligence · Computer Science 2020-03-13 Nicolas Heist , Sven Hertling , Daniel Ringler , Heiko Paulheim

To leverage machine learning in any decision-making process, one must convert the given knowledge (for example, natural language, unstructured text) into representation vectors that can be understood and processed by machine learning model…

Machine Learning · Computer Science 2023-07-11 Shibo Yao

In recent years, the importance of well-documented metadata has been discussed increasingly in many research fields. Making all metadata generated during scientific research available in a findable, accessible, interoperable, and reusable…

Facing the dynamic complex cyber environments, internal and external cyber threat intelligence, and the increasing risk of cyber-attack, knowledge graphs show great application potential in the cyber security area because of their…

Cryptography and Security · Computer Science 2022-04-12 Kai Liu , Fei Wang , Zhaoyun Ding , Sheng Liang , Zhengfei Yu , Yun Zhou

Procedural knowledge describes how to accomplish tasks and mitigate problems. Such knowledge is commonly held by domain experts, e.g. operators in manufacturing who adjust parameters to achieve quality targets. To the best of our knowledge,…

Artificial Intelligence · Computer Science 2023-08-17 Richard Nordsieck , André Schweizer , Michael Heider , Jörg Hähner

As a key application of artificial intelligence, recommender systems are among the most pervasive computer aided systems to help users find potential items of interests. Recently, researchers paid considerable attention to fairness issues…

Information Retrieval · Computer Science 2021-04-26 Le Wu , Lei Chen , Pengyang Shao , Richang Hong , Xiting Wang , Meng Wang

In domains where transparency and trustworthiness are crucial, such as healthcare, rule-based systems are widely used and often preferred over black-box models for decision support systems due to their inherent interpretability. However, as…

Machine Learning · Computer Science 2025-06-18 Christel Sirocchi , Damiano Verda

A key issue hindering discoverability, attribution and reusability of open research software is that its existence often remains hidden within the manuscript of research papers. For these resources to become first-class bibliographic…

Biomedical knowledge graphs (BioMedKGs) are essential infrastructures for biomedical and healthcare big data and artificial intelligence (AI), facilitating natural language processing, model development, and data exchange. For decades,…