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Artificial intelligence, trained via machine learning or computational statistics algorithms, holds much promise for the improvement of small molecule drug discovery. However, structure-activity data are high dimensional with low…

Applications · Statistics 2018-07-25 Oliver Watson , Isidro Cortes-Ciriano , Aimee Taylor , James A Watson

We propose new methods for Support Vector Machines (SVMs) using tree architecture for multi-class classi- fication. In each node of the tree, we select an appropriate binary classifier using entropy and generalization error estimation, then…

Machine Learning · Computer Science 2017-08-29 Pittipol Kantavat , Boonserm Kijsirikul , Patoomsiri Songsiri , Ken-ichi Fukui , Masayuki Numao

Nonlinear metrics, such as the F1-score, Matthews correlation coefficient, and Fowlkes-Mallows index, are often used to evaluate the performance of machine learning models, in particular, when facing imbalanced datasets that contain more…

Machine Learning · Computer Science 2022-06-30 Emir Demirović , Peter J. Stuckey

Many cognitive neuroscience studies use large feature sets to predict and interpret brain activity patterns. Feature sets take many forms, from human stimulus annotations to representations in deep neural networks. Of crucial importance in…

Neurons and Cognition · Quantitative Biology 2022-12-07 Anna A. Ivanova , Martin Schrimpf , Stefano Anzellotti , Noga Zaslavsky , Evelina Fedorenko , Leyla Isik

Decision trees are a widely used method for classification, both by themselves and as the building blocks of multiple different ensemble learning methods. The Max-Cut decision tree involves novel modifications to a standard, baseline model…

Machine Learning · Computer Science 2020-06-26 Jonathan Bodine , Dorit S. Hochbaum

Network intrusion detection (NID) systems which leverage machine learning have been shown to have strong performance in practice when used to detect malicious network traffic. Decision trees in particular offer a strong balance between…

Computation and Language · Computer Science 2023-10-31 Noah Ziems , Gang Liu , John Flanagan , Meng Jiang

Ranking models are the main components of information retrieval systems. Several approaches to ranking are based on traditional machine learning algorithms using a set of hand-crafted features. Recently, researchers have leveraged deep…

Information Retrieval · Computer Science 2021-11-03 Mohamed Trabelsi , Zhiyu Chen , Brian D. Davison , Jeff Heflin

Psychiatric neuroscience is increasingly aware of the need to define psychopathology in terms of abnormal neural computation. The central tool in this endeavour is the fitting of computational models to behavioural data. The most prominent…

Quantitative Methods · Quantitative Biology 2018-03-28 Abraham Nunes , Alexander Rudiuk

Decision trees have been widely used as classifiers in many machine learning applications thanks to their lightweight and interpretable decision process. This paper introduces Tree in Tree decision graph (TnT), a framework that extends the…

Machine Learning · Computer Science 2021-11-01 Bingzhao Zhu , Mahsa Shoaran

Decision tree learning is a popular classification technique most commonly used in machine learning applications. Recent work has shown that decision trees can be used to represent provably-correct controllers concisely. Compared to…

Machine Learning · Computer Science 2021-02-02 Pranav Ashok , Mathias Jackermeier , Pushpak Jagtap , Jan Křetínský , Maximilian Weininger , Majid Zamani

There is a widespread and longstanding belief that machine learning models are biased towards the majority class when learning from imbalanced binary response data, leading them to neglect or ignore the minority class. Motivated by a recent…

Machine Learning · Statistics 2026-01-29 Nathan Phelps , Daniel J. Lizotte , Douglas G. Woolford

Simulation is useful for the evaluation of a Master Production/distribution Schedule (MPS). Also, the goal of this paper is the study of the design of a simulation model by reducing its complexity. According to theory of constraints, we…

Neural and Evolutionary Computing · Computer Science 2009-06-11 Philippe Thomas , André Thomas

Model selection criteria are rules used to select the best statistical model among a set of candidate models, striking a trade-off between goodness of fit and model complexity. Most popular model selection criteria measure the goodness of…

Statistics Theory · Mathematics 2023-04-13 Angel Felipe , Maria Jaenada , Pedro Miranda , Leandro Pardo

Computing an optimal classification tree that provably maximizes training performance within a given size limit, is NP-hard, and in practice, most state-of-the-art methods do not scale beyond computing optimal trees of depth three.…

Machine Learning · Computer Science 2025-01-15 Catalin E. Brita , Jacobus G. M. van der Linden , Emir Demirović

While larger neural models are pushing the boundaries of what deep learning can do, often more weights are needed to train models rather than to run inference for tasks. This paper seeks to understand this behavior using search spaces --…

Machine Learning · Computer Science 2021-05-28 Darko Stosic , Dusan Stosic

Decompositions of networks are useful not only for structural exploration. They also have implications and use in analysis and computational solution of processes (such as the Ising model, percolation, SIR model) running on a given network.…

Disordered Systems and Neural Networks · Physics 2020-04-29 Konstantin Klemm

Testing of deep learning models is challenging due to the excessive number and complexity of computations involved. As a result, test data selection is performed manually and in an ad hoc way. This raises the question of how we can…

Machine Learning · Computer Science 2019-05-01 Wei Ma , Mike Papadakis , Anestis Tsakmalis , Maxime Cordy , Yves Le Traon

A decision tree recursively splits a feature space $\mathbb{R}^{d}$ and then assigns class labels based on the resulting partition. Decision trees have been part of the basic machine-learning toolkit for decades. A large body of work treats…

Ranking models lie at the heart of research on information retrieval (IR). During the past decades, different techniques have been proposed for constructing ranking models, from traditional heuristic methods, probabilistic methods, to…

Information Retrieval · Computer Science 2019-06-28 Jiafeng Guo , Yixing Fan , Liang Pang , Liu Yang , Qingyao Ai , Hamed Zamani , Chen Wu , W. Bruce Croft , Xueqi Cheng

Deep learning has excelled in image recognition tasks through neural networks inspired by the human brain. However, the necessity for large models to improve prediction accuracy introduces significant computational demands and extended…

Computer Vision and Pattern Recognition · Computer Science 2024-08-27 Taigo Sakai , Kazuhiro Hotta