Explainable Deep Learning Approach for Multilabel Classification of Antimicrobial Resistance With Missing Labels

Abstract

Predicting Antimicrobial Resistance (AMR) from genomic sequence data has become a significant component of overcoming the AMR challenge, especially given its potential for facilitating more rapid diagnostics and personalised antibiotic treatments. With the recent advances in sequencing technologies and computing power, deep learning models for genomic sequence data have been widely adopted to predict AMR more reliably and error-free. There are many different types of AMR; therefore, any practical AMR prediction system must be able to identify multiple AMRs present in a genomic sequence. Unfortunately, most genomic sequence datasets do not have all the labels marked, thereby making a deep learning modelling approach challenging owing to its reliance on labels for reliability and accuracy. This paper addresses this issue by presenting an effective deep learning solution, Mask-Loss 1D convolution neural network (ML-ConvNet), for AMR prediction on datasets with many missing labels. The core component of ML-ConvNet utilises a masked loss function that overcomes the effect of missing labels in predicting AMR. The proposed ML-ConvNet is demonstrated to outperform state-of-the-art methods in the literature by 10.5%, according to the F1 score. The proposed model's performance is evaluated using different degrees of the missing label and is found to outperform the conventional approach by 76% in the F1 score when 86.68% of labels are missing. Furthermore, the ML-ConvNet was established with an explainable artificial intelligence (XAI) pipeline, thereby making it ideally suited for hospital and healthcare settings, where model interpretability is an essential requirement.INDEX TERMS Multilabel classification, deep neural network, multi-drug AMR, missing labels, explainable AI.

Detection of new candidate compounds against four antibiotic targets using explainable artificial intelligence by molecular fingerprints

“…NN [21] Using Mask-Loss 1D convolutional neural network (ML-ConvNet) for antibiotic resistance prediction in datasets with missing labels ML-ConvNet [22] Using a ligand-based virtual scanning method, a deep neural network (DNN) model called a multilayer perceptron (MLP) is created to categorize molecules into "active" and "inactive" substances.…”