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Envelope model also known as multivariate regression model was proposed to solve the multiple response regression problems. It measures the linear association between predictors and multiple responses by using the minimal reducing subspace…

Methodology · Statistics 2018-05-07 Bochao Jia

This work focuses on support vector machine (SVM) with feature selection. A MILP formulation is proposed for the problem. The choice of suitable features to construct the separating hyperplanes has been modelled in this formulation by…

Optimization and Control · Mathematics 2018-08-08 Martine Labbé , Luisa I. Martínez-Merino , Antonio M. Rodríguez-Chía

Predicting peptide--major histocompatibility complex I (pMHC-I) binding affinity remains challenging due to extreme allelic diversity ($\sim$30,000 HLA alleles), severe data scarcity for most alleles, and noisy experimental measurements.…

Quantitative Methods · Quantitative Biology 2025-07-18 Sergio E. Mares , Ariel Espinoza Weinberger , Nilah M. Ioannidis

Recently, Antimicrobial peptides (AMPs) have been an area of interest in the researches, as the first line of defense against the bacteria. They are raising attention as an efficient way of fighting multidrug resistance. Discovering and…

Quantitative Methods · Quantitative Biology 2020-05-06 Neda Zarayeneh , Zahra Hanifeloo

As in many other scientific domains, we face a fundamental problem when using machine learning to identify proteins from mass spectrometry data: large ground truth datasets mapping inputs to correct outputs are extremely difficult to…

Identification of antimicrobial peptides is an important and necessary issue in today's era. Antimicrobial peptides are essential as an alternative to antibiotics for biomedical applications and many other practical applications. These…

Machine Learning · Computer Science 2025-12-17 Reyhaneh Keshavarzpour , Eghbal Mansoori

To conduct Bayesian inference with large data sets, it is often convenient or necessary to distribute the data across multiple machines. We consider a likelihood function expressed as a product of terms, each associated with a subset of the…

Computation · Statistics 2020-04-09 Lewis J. Rendell , Adam M. Johansen , Anthony Lee , Nick Whiteley

System combination is an important technique for combining the hypotheses of different machine translation systems to improve translation performance. Although early statistical approaches to system combination have been proven effective in…

Computation and Language · Computer Science 2020-07-15 Xuancheng Huang , Jiacheng Zhang , Zhixing Tan , Derek F. Wong , Huanbo Luan , Jingfang Xu , Maosong Sun , Yang Liu

A key obstacle in automated analytics and meta-learning is the inability to recognize when different datasets contain measurements of the same variable. Because provided attribute labels are often uninformative in practice, this task may be…

Machine Learning · Computer Science 2019-09-12 Jonas Mueller , Alex Smola

This work uses visual knowledge discovery in parallel coordinates to advance methods of interpretable machine learning. The graphic data representation in parallel coordinates made the concepts of hypercubes and hyperblocks (HBs) simple to…

Machine Learning · Computer Science 2023-11-28 Dustin Hayes , Boris Kovalerchuk

Often the development of novel functional peptides is not amenable to high throughput or purely computational screening methods. Peptides must be synthesized one at a time in a process that does not generate large amounts of data. One way…

Biomolecules · Quantitative Biology 2020-12-14 Rainier Barrett , Andrew D. White

Quantum computing offers new opportunities for addressing complex classification tasks in biomedical applications. This study investigates two quantum machine learning models-the Quantum Support Vector Machine (QSVM) and the Variational…

Quantum Physics · Physics 2025-04-16 Chi-Chuan Hwang , Cheng-Fang Su , Yi-Ang Hong

Accurately predicting antibody-antigen binding residues, i.e., paratopes and epitopes, is crucial in antibody design. However, existing methods solely focus on uni-modal data (either sequence or structure), disregarding the complementary…

Biomolecules · Quantitative Biology 2024-06-03 Zhiwei Wang , Yongkang Wang , Wen Zhang

The identification of bitter peptides is crucial in various domains, including food science, drug discovery, and biochemical research. These peptides not only contribute to the undesirable taste of hydrolyzed proteins but also play key…

Quantitative Methods · Quantitative Biology 2025-10-30 Sarfraz Ahmad , Momina Ahsan , Muhammad Nabeel Asim , Andreas Dengel , Muhammad Imran Malik

T-cells play a key role in adaptive immunity by mounting specific responses against diverse pathogens. An effective binding between T-cell receptors (TCRs) and pathogen-derived peptides presented on Major Histocompatibility Complexes (MHCs)…

Quantitative Methods · Quantitative Biology 2025-09-05 Gian Marco Visani , Michael N. Pun , Anastasia A. Minervina , Philip Bradley , Paul Thomas , Armita Nourmohammad

This study investigates quantum computing's role in B-cell epitope prediction using Quantum Support Vector Machine (QSVM) and Variational Quantum Classifier (VQC). It highlights the potential of quantum machine learning in bioinformatics,…

Quantum Physics · Physics 2025-04-17 Chi-Chuan Hwang , Yi-Ang Hong

Predicting missing links between entities in a knowledge graph is a fundamental task to deal with the incompleteness of data on the Web. Knowledge graph embeddings map nodes into a vector space to predict new links, scoring them according…

Artificial Intelligence · Computer Science 2023-02-14 Cosimo Gregucci , Mojtaba Nayyeri , Daniel Hernández , Steffen Staab

Given the clinical notes written in electronic health records (EHRs), it is challenging to predict the diagnostic codes which is formulated as a multi-label classification task. The large set of labels, the hierarchical dependency, and the…

Computation and Language · Computer Science 2021-06-25 Shang-Chi Tsai , Chao-Wei Huang , Yun-Nung Chen

Multivariate data analysis techniques have the potential to improve physics analyses in many ways. The common classification problem of signal/background discrimination is one example. The Support Vector Machine learning algorithm is a…

High Energy Physics - Experiment · Physics 2009-11-07 A. Vaiciulis

Machine learning methods may have the potential to significantly accelerate drug discovery. However, the increasing rate of new methodological approaches being published in the literature raises the fundamental question of how models should…

Machine Learning · Computer Science 2020-02-19 Matthew C. Robinson , Robert C. Glen , Alpha A. Lee