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Open Access
Article
Publication date: 18 March 2022

Loris Nanni, Alessandra Lumini and Sheryl Brahnam

Automatic anatomical therapeutic chemical (ATC) classification is progressing at a rapid pace because of its potential in drug development. Predicting an unknown compound's…

Abstract

Purpose

Automatic anatomical therapeutic chemical (ATC) classification is progressing at a rapid pace because of its potential in drug development. Predicting an unknown compound's therapeutic and chemical characteristics in terms of how it affects multiple organs and physiological systems makes automatic ATC classification a vital yet challenging multilabel problem. The aim of this paper is to experimentally derive an ensemble of different feature descriptors and classifiers for ATC classification that outperforms the state-of-the-art.

Design/methodology/approach

The proposed method is an ensemble generated by the fusion of neural networks (i.e. a tabular model and long short-term memory networks (LSTM)) and multilabel classifiers based on multiple linear regression (hMuLab). All classifiers are trained on three sets of descriptors. Features extracted from the trained LSTMs are also fed into hMuLab. Evaluations of ensembles are compared on a benchmark data set of 3883 ATC-coded pharmaceuticals taken from KEGG, a publicly available drug databank.

Findings

Experiments demonstrate the power of the authors’ best ensemble, EnsATC, which is shown to outperform the best methods reported in the literature, including the state-of-the-art developed by the fast.ai research group. The MATLAB source code of the authors’ system is freely available to the public at https://github.com/LorisNanni/Neural-networks-for-anatomical-therapeutic-chemical-ATC-classification.

Originality/value

This study demonstrates the power of extracting LSTM features and combining them with ATC descriptors in ensembles for ATC classification.

Details

Applied Computing and Informatics, vol. ahead-of-print no. ahead-of-print
Type: Research Article
ISSN: 2634-1964

Keywords

Open Access
Article
Publication date: 4 August 2020

Alessandra Lumini, Loris Nanni and Gianluca Maguolo

In this paper, we present a study about an automated system for monitoring underwater ecosystems. The system here proposed is based on the fusion of different deep learning…

2359

Abstract

In this paper, we present a study about an automated system for monitoring underwater ecosystems. The system here proposed is based on the fusion of different deep learning methods. We study how to create an ensemble based of different Convolutional Neural Network (CNN) models, fine-tuned on several datasets with the aim of exploiting their diversity. The aim of our study is to experiment the possibility of fine-tuning CNNs for underwater imagery analysis, the opportunity of using different datasets for pre-training models, the possibility to design an ensemble using the same architecture with small variations in the training procedure.

Our experiments, performed on 5 well-known datasets (3 plankton and 2 coral datasets) show that the combination of such different CNN models in a heterogeneous ensemble grants a substantial performance improvement with respect to other state-of-the-art approaches in all the tested problems. One of the main contributions of this work is a wide experimental evaluation of famous CNN architectures to report the performance of both the single CNN and the ensemble of CNNs in different problems. Moreover, we show how to create an ensemble which improves the performance of the best single model. The MATLAB source code is freely link provided in title page.

Details

Applied Computing and Informatics, vol. 19 no. 3/4
Type: Research Article
ISSN: 2634-1964

Keywords

Open Access
Article
Publication date: 17 July 2020

Sheryl Brahnam, Loris Nanni, Shannon McMurtrey, Alessandra Lumini, Rick Brattin, Melinda Slack and Tonya Barrier

Diagnosing pain in neonates is difficult but critical. Although approximately thirty manual pain instruments have been developed for neonatal pain diagnosis, most are complex…

2328

Abstract

Diagnosing pain in neonates is difficult but critical. Although approximately thirty manual pain instruments have been developed for neonatal pain diagnosis, most are complex, multifactorial, and geared toward research. The goals of this work are twofold: 1) to develop a new video dataset for automatic neonatal pain detection called iCOPEvid (infant Classification Of Pain Expressions videos), and 2) to present a classification system that sets a challenging comparison performance on this dataset. The iCOPEvid dataset contains 234 videos of 49 neonates experiencing a set of noxious stimuli, a period of rest, and an acute pain stimulus. From these videos 20 s segments are extracted and grouped into two classes: pain (49) and nopain (185), with the nopain video segments handpicked to produce a highly challenging dataset. An ensemble of twelve global and local descriptors with a Bag-of-Features approach is utilized to improve the performance of some new descriptors based on Gaussian of Local Descriptors (GOLD). The basic classifier used in the ensembles is the Support Vector Machine, and decisions are combined by sum rule. These results are compared with standard methods, some deep learning approaches, and 185 human assessments. Our best machine learning methods are shown to outperform the human judges.

Details

Applied Computing and Informatics, vol. 19 no. 1/2
Type: Research Article
ISSN: 2634-1964

Keywords

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