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The training of molecular models of quantum mechanical properties based on statistical machine learning requires large datasets which exemplify the map from chemical structure to molecular property. Intelligent a priori selection of…

Recent advances in experimental methods have enabled researchers to collect data on thousands of analytes simultaneously. This has led to correlational studies that associated molecular measurements with diseases such as Alzheimer's, Liver,…

Quantitative Methods · Quantitative Biology 2024-05-20 Divyagna Bavikadi , Ayushi Agarwal , Shashank Ganta , Yunro Chung , Lusheng Song , Ji Qiu , Paulo Shakarian

In this paper, we propose a multi-kernel classifier learning algorithm to optimize a given nonlinear and nonsmoonth multivariate classifier performance measure. Moreover, to solve the problem of kernel function selection and kernel…

Machine Learning · Computer Science 2015-08-26 Jingbin Wang , Haoxiang Wang , Yihua Zhou , Nancy McDonald

Feature selection is an important task in many problems occurring in pattern recognition, bioinformatics, machine learning and data mining applications. The feature selection approach enables us to reduce the computation burden and the…

Machine Learning · Computer Science 2016-08-30 Hadi Zare , Mojtaba Niazi

In Computer Vision, problem of identifying or classifying the objects present in an image is called Object Categorization. It is a challenging problem, especially when the images have clutter background, occlusions or different lighting…

Computer Vision and Pattern Recognition · Computer Science 2016-04-26 Jyothi Korra

The development of molecular signatures for the prediction of time-to-event outcomes is a methodologically challenging task in bioinformatics and biostatistics. Although there are numerous approaches for the derivation of marker…

Applications · Statistics 2014-01-09 Andreas Mayr , Matthias Schmid

Quantum machine learning with quantum kernels for classification problems is a growing area of research. Recently, quantum kernel alignment techniques that parameterise the kernel have been developed, allowing the kernel to be trained and…

Systems biology seeks to create math models of biological systems to reduce inherent biological complexity and provide predictions for applications such as therapeutic development. However, it remains a challenge to determine which math…

Quantitative Methods · Quantitative Biology 2022-08-05 Vincent D. Zaballa , Elliot E. Hui

Optimal treatment rules can improve health outcomes on average by assigning a treatment associated with the most desirable outcome to each individual. Due to an unknown data generation mechanism, it is appealing to use flexible models to…

Methodology · Statistics 2023-11-21 Lingjie Shen , Gijs Geleijnse , Maurits Kaptein

Efficient benchmarking techniques aim to lower the computational cost of evaluating LLMs by predicting full benchmark scores using only a subset of a benchmark's questions. By reframing this problem as an instance of multiple regression…

Machine Learning · Statistics 2026-05-26 Sam Bowyer , Acyr Locatelli , Kris Cao

Feature Selection is a crucial procedure in Data Science tasks such as Classification, since it identifies the relevant variables, making thus the classification procedures more interpretable, cheaper in terms of measurement and more…

Machine Learning · Statistics 2024-01-17 Sandra Benítez-Peña , Rafael Blanquero , Emilio Carrizosa , Pepa Ramírez-Cobo

Effective therapy of complex diseases requires control of highly non-linear complex networks that remain incompletely characterized. In particular, drug intervention can be seen as control of signaling in cellular networks. Identification…

Quantitative Methods · Quantitative Biology 2009-09-03 Jacob D. Feala , Jorge Cortes , Phillip M. Duxbury , Carlo Piermarocchi , Andrew D. McCulloch , Giovanni Paternostro

Insufficient performance of optimization approaches for fitting of mathematical models is still a major bottleneck in systems biology. In this manuscript, the reasons and methodological challenges are summarized as well as their impact in…

Performance · Computer Science 2019-07-09 Clemens Kreutz

Algorithm selection, aiming to identify the best algorithm for a given problem, plays a pivotal role in continuous black-box optimization. A common approach involves representing optimization functions using a set of features, which are…

Machine Learning · Computer Science 2025-05-13 Gašper Petelin , Gjorgjina Cenikj

We consider the problem of feature selection in multi-label classification, considering the costs assigned to groups of features. In this task, the goal is to select a subset of features that will be useful for predicting the label vector,…

Machine Learning · Statistics 2024-08-06 Tomasz Klonecki , Paweł Teisseyre , Jaesung Lee

Accurate diagnostic tests are essential for effective screening and treatment. However, individual biomarkers often fail to provide sufficient diagnostic accuracy, as they typically capture only one aspect of the complex disease process.…

Methodology · Statistics 2025-07-08 Ainesh Sewak , Sandra Siegfried , Torsten Hothorn

Kernel-based methods enjoy powerful generalization capabilities in handling a variety of learning tasks. When such methods are provided with sufficient training data, broadly-applicable classes of nonlinear functions can be approximated…

Machine Learning · Statistics 2017-12-29 Fatemeh Sheikholeslami , Dimitris Berberidis , Georgios B. Giannakis

Identification of biomarkers is an emerging area in Oncology. In this article, we develop an efficient statistical procedure for classification of protein markers according to their effect on cancer progression. A high-dimensional…

Applications · Statistics 2021-01-08 Souvik Banerjee , Gajendra K. Vishwakarma , Atanu Bhattacharjee

The success of kernel-based learning methods depend on the choice of kernel. Recently, kernel learning methods have been proposed that use data to select the most appropriate kernel, usually by combining a set of base kernels. We introduce…

Machine Learning · Computer Science 2011-12-21 Arash Afkanpour , Csaba Szepesvari , Michael Bowling

Imaging biomarkers in neuro-oncology are used for diagnosis, prognosis and treatment response monitoring. Magnetic resonance imaging is typically used throughout the patient pathway because routine structural imaging provides detailed…

Quantitative Methods · Quantitative Biology 2019-10-21 Thomas Booth