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Many biological processes are governed by protein-ligand interactions. One such example is the recognition of self and nonself cells by the immune system. This immune response process is regulated by the major histocompatibility complex…

Quantitative Methods · Quantitative Biology 2017-04-14 Yeeleng Scott Vang , Xiaohui Xie

The complementary information found in different modalities of patient data can aid in more accurate modelling of a patient's disease state and a better understanding of the underlying biological processes of a disease. However, the…

Machine Learning · Computer Science 2025-04-18 Annette Spooner , Mohammad Karimi Moridani , Azadeh Safarchi , Salim Maher , Fatemeh Vafaee , Amany Zekry , Arcot Sowmya

The ultimate target of proteomics identification is to identify and quantify the protein in the organism. Mass spectrometry (MS) based on label-free protein quantitation has mainly focused on analysis of peptide spectral counts and ion peak…

Quantitative Methods · Quantitative Biology 2013-12-05 Biao He , Baochang Zhang , Yan Fu

Software defect prediction heavily relies on the metrics collected from software projects. Earlier studies often used machine learning techniques to build, validate, and improve bug prediction models using either a set of metrics collected…

Software Engineering · Computer Science 2021-05-03 Hadi Jahanshahi , Mucahit Cevik , Ayşe Başar

Multi-task learning (MTL) has become an essential machine learning tool for addressing multiple learning tasks simultaneously and has been effectively applied across fields such as healthcare, marketing, and biomedical research. However, to…

Machine Learning · Statistics 2025-06-02 Yang Sui , Qi Xu , Yang Bai , Annie Qu

Hypergraphs (i.e., sets of hyperedges) naturally represent group relations (e.g., researchers co-authoring a paper and ingredients used together in a recipe), each of which corresponds to a hyperedge (i.e., a subset of nodes). Predicting…

Machine Learning · Computer Science 2022-04-19 Hyunjin Hwang , Seungwoo Lee , Chanyoung Park , Kijung Shin

Support vector machines (SVMs) are special kernel based methods and belong to the most successful learning methods since more than a decade. SVMs can informally be described as a kind of regularized M-estimators for functions and have…

Machine Learning · Statistics 2010-07-26 Andreas Christmann , Robert Hable

The complex nature of tripartite peptide-MHC-TCR interactions is a critical yet underexplored area in immunogenicity prediction. Traditional studies on TCR-antigen binding have not fully addressed the complex dependencies in triad binding.…

Biomolecules · Quantitative Biology 2025-01-06 Jiahao Ma , Hongzong Li , Jian-Dong Huang , Ye-Fan Hu , Yifan Chen

Motivation: Peptide-protein interactions (PepPIs) are central to cellular regulation and peptide therapeutics, but experimental characterization remains too slow for large-scale screening. Existing methods usually emphasize either…

Machine Learning · Computer Science 2026-04-28 Chupei Tang , Junxiao Kong , Moyu Tang , Di Wang , Jixiu Zhai , Ronghao Xie , Shangkun Sima , Tianchi Lu

Automated decision support systems promise to help human experts solve multiclass classification tasks more efficiently and accurately. However, existing systems typically require experts to understand when to cede agency to the system or…

Machine Learning · Computer Science 2023-07-03 Eleni Straitouri , Lequn Wang , Nastaran Okati , Manuel Gomez Rodriguez

Availability of diagnostic codes in Electronic Health Records (EHRs) is crucial for patient care as well as reimbursement purposes. However, entering them in the EHR is tedious, and some clinical codes may be overlooked. Given an…

Machine Learning · Computer Science 2023-05-10 Tsvetan R. Yordanov , Ameen Abu-Hanna , Anita CJ Ravelli , Iacopo Vagliano

T cell receptor (TCR) recognition of peptide-MHC (pMHC) complexes is fundamental to adaptive immunity and central to the development of T cell-based immunotherapies. While transformer-based models have shown promise in predicting TCR-pMHC…

Computational Engineering, Finance, and Science · Computer Science 2025-09-23 Jiarui Li , Zixiang Yin , Zhengming Ding , Samuel J. Landry , Ramgopal R. Mettu

Solving different types of optimization models (including parameters fitting) for support vector machines on large-scale training data is often an expensive computational task. This paper proposes a multilevel algorithmic framework that…

Machine Learning · Statistics 2014-10-14 Talayeh Razzaghi , Ilya Safro

The purpose of this report is in examining the generalization performance of Support Vector Machines (SVM) as a tool for pattern recognition and object classification. The work is motivated by the growing popularity of the method that is…

Machine Learning · Computer Science 2014-12-16 Eugene Borovikov

The accurate screening of candidate drug ligands against target proteins through computational approaches is of prime interest to drug development efforts. Such virtual screening depends in part on methods to predict the binding affinity…

Machine Learning · Computer Science 2024-10-22 Ho-Joon Lee , Prashant S. Emani , Mark B. Gerstein

Given multiple source word embeddings learnt using diverse algorithms and lexical resources, meta word embedding learning methods attempt to learn more accurate and wide-coverage word embeddings. Prior work on meta-embedding has repeatedly…

Computation and Language · Computer Science 2022-04-27 Danushka Bollegala

The paper utilizes the graph embeddings generated for entities of a large biomedical database to perform link prediction to capture various new relationships among different entities. A novel node similarity measure is proposed that…

Information Retrieval · Computer Science 2021-11-01 Prakhar Gurawa , Matthias Nickles

There are numerous peptides discovered through past decades, which exhibit antimicrobial and anti-cancerous tendencies. Due to these reasons, peptides are supposed to be sound therapeutic candidates. Some peptides can pose low metabolic…

Machine Learning · Computer Science 2020-12-14 Ali Raza , Hafiz Saud Arshad

Biological and cellular systems are often modeled as graphs in which vertices represent objects of interest (genes, proteins, drugs) and edges represent relational ties among these objects (binds-to, interacts-with, regulates). This…

Machine Learning · Statistics 2017-03-16 Jose Lugo-Martinez , Predrag Radivojac

We review the concept of Support Vector Machines (SVMs) and discuss examples of their use in a number of scenarios. Several SVM implementations have been used in HEP and we exemplify this algorithm using the Toolkit for Multivariate…

Data Analysis, Statistics and Probability · Physics 2017-12-06 Adrian Bevan , Rodrigo Gamboa Goñi , Jon Hays , Tom Stevenson