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The problem of multilabel classification when the labels are related through a hierarchical categorization scheme occurs in many application domains such as computational biology. For example, this problem arises naturally when trying to…

Machine Learning · Computer Science 2012-05-14 Sara Mostafavi , Quaid Morris

Protein interactions are important in a broad range of biological processes. Traditionally, computational methods have been developed to automatically predict protein interface from hand-crafted features. Recent approaches employ deep…

Machine Learning · Computer Science 2020-07-21 Yi Liu , Hao Yuan , Lei Cai , Shuiwang Ji

Recent research efforts have shown the possibility to discover anticancer drug-like molecules in food from their effect on protein-protein interaction networks, opening a potential pathway to disease-beating diet design. We formulate this…

Machine Learning · Computer Science 2020-01-17 Guadalupe Gonzalez , Shunwang Gong , Ivan Laponogov , Kirill Veselkov , Michael Bronstein

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

Composed of amino acid chains that influence how they fold and thus dictating their function and features, proteins are a class of macromolecules that play a central role in major biological processes and are required for the structure,…

Quantitative Methods · Quantitative Biology 2022-07-15 Aaron Wang

Predicting gene function from its DNA sequence is a fundamental challenge in biology. Many deep learning models have been proposed to embed DNA sequences and predict their enzymatic function, leveraging information in public databases…

While electronic health records (EHRs) are widely used across various applications in healthcare, most applications use the EHRs in their raw (tabular) format. Relying on raw or simple data pre-processing can greatly limit the performance…

Machine Learning · Computer Science 2024-03-28 Fahmida Liza Piya , Mehak Gupta , Rahmatollah Beheshti

The rapid expansion of the fashion industry and the growing variety of products have made it increasingly challenging for users to identify compatible items on e-commerce platforms. Effective fashion recommendation systems are therefore…

Machine Learning · Computer Science 2025-08-21 Sajjad Saed , Babak Teimourpour

Automated cattle activity classification allows herders to continuously monitor the health and well-being of livestock, resulting in increased quality and quantity of beef and dairy products. In this paper, a sequential deep neural network…

The Gene Ontology (GO) provides a knowledge base to effectively describe proteins. However, measuring similarity between proteins based on GO remains a challenge. In this paper, we propose a new similarity measure, information coefficient…

Computational Engineering, Finance, and Science · Computer Science 2010-01-07 Bo Li , James Z. Wang , F. Alex Feltus , Jizhong Zhou , Feng Luo

Identifying druggable genes is essential for developing effective pharmaceuticals. With the availability of extensive, high-quality data, computational methods have become a significant asset. Protein Interaction Network (PIN) is valuable…

Machine Learning · Computer Science 2025-01-06 George Yuanji Wang , Srisharan Murugesan , Aditya Prince Rohatgi

As high-throughput biological sequencing becomes faster and cheaper, the need to extract useful information from sequencing becomes ever more paramount, often limited by low-throughput experimental characterizations. For proteins, accurate…

Quantitative Methods · Quantitative Biology 2017-01-31 Xueliang Liu

Deep learning has deeply influenced protein science, enabling breakthroughs in predicting protein properties, higher-order structures, and molecular interactions. This paper introduces DeepProtein, a comprehensive and user-friendly deep…

Machine Learning · Computer Science 2025-06-17 Jiaqing Xie , Tianfan Fu

Protein-protein interactions (PPIs) are associated with various diseases, including cancer, infections, and neurodegenerative disorders. Obtaining three-dimensional structural information on these PPIs serves as a foundation to interfere…

Biomolecules · Quantitative Biology 2024-07-24 Xiaotong Xu , Alexandre M. J. J. Bonvin

News text classification is a crucial task in natural language processing, essential for organizing and filtering the massive volume of digital content. Traditional methods typically rely on statistical features like term frequencies or…

Computation and Language · Computer Science 2025-11-24 Mohammad Zare

Graph neural networks have been used for a variety of learning tasks, such as link prediction, node classification, and node clustering. Among them, link prediction is a relatively under-studied graph learning task, with current…

Machine Learning · Computer Science 2022-08-29 Xinxing Wu , Qiang Cheng

Most network-based protein (or gene) function prediction methods are based on the assumption that the labels of two adjacent proteins in the network are likely to be the same. However, assuming the pairwise relationship between proteins or…

Machine Learning · Statistics 2012-12-04 Loc Tran

Machine learning models that can exploit the inherent structure in data have gained prominence. In particular, there is a surge in deep learning solutions for graph-structured data, due to its wide-spread applicability in several fields.…

Machine Learning · Computer Science 2020-02-12 Uday Shankar Shanthamallu , Jayaraman J. Thiagarajan , Andreas Spanias

Advances in deep learning have opened an era of abundant and accurate predicted protein structures; however, similar progress in protein ensembles has remained elusive. This review highlights several recent research directions towards…

Biomolecules · Quantitative Biology 2025-09-23 Bowen Jing , Bonnie Berger , Tommi Jaakkola

Graphs are useful for representing various realworld objects. However, graph neural networks (GNNs) tend to suffer from over-smoothing, where the representations of nodes of different classes become similar as the number of layers…

Machine Learning · Computer Science 2024-10-22 Jun Kato , Airi Mita , Keita Gobara , Akihiro Inokuchi