Experimental Biology and Medicine

Data imbalance is a challenging problem in classification tasks, and when combined with class overlapping, it further deteriorates classification performance. However, existing studies have rarely addressed both issues simultaneously. In this article, we propose a novel quantum-based oversampling method (QOSM) to effectively tackle data imbalance and class overlapping, thereby improving classification performance. QOSM utilizes the quantum potential theory to calculate the potential energy of each sample and selects the sample with the lowest potential as the center of each cover generated by a constructive covering algorithm. This approach optimizes cover center selection and better captures the distribution of the original samples, particularly in the overlapping regions. In addition, oversampling is performed on the samples of the minority class covers to mitigate the imbalance ratio (IR). We evaluated QOSM using three traditional classifiers (support vector machines [SVM], k-nearest neighbor [KNN], and naive Bayes [NB] classifier) on 10 publicly available KEEL data sets characterized by high IRs and varying degrees of overlap. Experimental results demonstrate that QOSM significantly improves classification accuracy compared to approaches that do not address class imbalance and overlapping. Moreover, QOSM consistently outperforms existing oversampling methods tested. With its compatibility with different classifiers, QOSM exhibits promising potential to improve the classification performance of highly imbalanced and overlapped data.

Computer-aided diagnosis of Alzheimer’s disease (AD) is a rapidly growing field with the possibility to be utilized in practice. Deep learning has received much attention in detecting AD from structural magnetic resonance imaging (sMRI). However, training a convolutional neural network from scratch is problematic because it requires a lot of annotated data and additional computational time. Transfer learning can offer a promising and practical solution by transferring information learned from other image recognition tasks to medical image classification. Another issue is the dataset distribution’s irregularities. A common classification issue in datasets is a class imbalance, where the distribution of samples among the classes is biased. For example, a dataset may contain more instances of some classes than others. Class imbalance is challenging because most machine learning algorithms assume that each class should have an equal number of samples. Models consequently perform poorly in prediction. Class decomposition can address this problem by making learning a dataset’s class boundaries easier. Motivated by these approaches, we propose a class decomposition transfer learning (CDTL) approach that employs VGG19, AlexNet, and an entropy-based technique to detect AD from sMRI. This study aims to assess the robustness of the CDTL approach in detecting the cognitive decline of AD using data from various ADNI cohorts to determine whether comparable classification accuracy for the two or more cohorts would be obtained. Furthermore, the proposed model achieved state-of-the-art performance in predicting mild cognitive impairment (MCI)-to-AD conversion with an accuracy of 91.45%.

In our previous study, we demonstrated the feasibility of producing a proactive statin prescription strategy – a personalized statin treatment plan (PSTP) – using neural networks with big data. However, its non-transparency limited result interpretations and clinical usability. To improve the transparency of our previous approach with minimal compromise to the maximal statin treatment benefit-to-risk ratio, this study proposed a five-step pipeline approach called the decision rules for statin treatment (DRST). Steps 1–3 of our proposed pipeline improved our previous PSTP model in optimizing individual benefit-to-risk ratio; Step 4 used a decision tree model (DRST) to provide straightforward rules in the initial statin treatment plan; Step 5 aimed to evaluate the efficacy of these decision rules by conducting a clinical trial simulation. We included 107,739 de-identified patient data from Optum Labs Database Warehouse in this study. The final decision rules were compact and efficient, resulting from a decision tree with only a maximum depth of 3 and 11 nodes. The DRST identified three factors that are easily obtainable at the point of care: age, low-density lipoprotein cholesterol (LDL-C) level, and age-adjusted Charlson score. Moreover, it also identified six subpopulations that can benefit most from these decision rules. In our clinical trial simulations, DRST was found to improve statin benefit in LDL-C reduction by 4.15 percentage points (pp) and reduce risks of statin-associated symptoms (SAS) and statin discontinuation by 11.71 and 3.96 pp, respectively, when compared to the standard of care. Moreover, these DRST results were only less than 0.6 pp suboptimal to PSTP, demonstrating that building DRST that provide transparency with minimal compromise to the maximal benefit-to-risk ratio of statin treatments is feasible.

This study aims to construct and evaluate a deep learning model, utilizing ultrasound images, to accurately differentiate benign and malignant thyroid nodules. The objective includes visualizing the model’s process for interpretability and comparing its diagnostic precision with a cohort of 80 radiologists. We employed ResNet as the classification backbone for thyroid nodule prediction. The model was trained using 2096 ultrasound images of 655 distinct thyroid nodules. For performance evaluation, an independent test set comprising 100 cases of thyroid nodules was curated. In addition, to demonstrate the superiority of the artificial intelligence (AI) model over radiologists, a Turing test was conducted with 80 radiologists of varying clinical experience. This was meant to assess which group of radiologists’ conclusions were in closer alignment with AI predictions. Furthermore, to highlight the interpretability of the AI model, gradient-weighted class activation mapping (Grad-CAM) was employed to visualize the model’s areas of focus during its prediction process. In this cohort, AI diagnostics demonstrated a sensitivity of 81.67%, a specificity of 60%, and an overall diagnostic accuracy of 73%. In comparison, the panel of radiologists on average exhibited a diagnostic accuracy of 62.9%. The AI’s diagnostic process was significantly faster than that of the radiologists. The generated heat-maps highlighted the model’s focus on areas characterized by calcification, solid echo and higher echo intensity, suggesting these areas might be indicative of malignant thyroid nodules. Our study supports the notion that deep learning can be a valuable diagnostic tool with comparable accuracy to experienced senior radiologists in the diagnosis of malignant thyroid nodules. The interpretability of the AI model’s process suggests that it could be clinically meaningful. Further studies are necessary to improve diagnostic accuracy and support auxiliary diagnoses in primary care settings.

The incidence and mortality rates of neurodegenerative diseases, such as Alzheimer’s disease and Parkinson’s disease, are gradually increasing worldwide. Numerous studies have demonstrated that N-methyl-D-aspartic acid receptor (NMDAR)-mediated excitotoxicity contributes to neurodegenerative diseases. Ifenprodil, a subtype-selective NMDAR antagonist, showed strong therapeutic potential. However, it suffers from low oral bioavailability and off-target side effects. In this study, natural compounds were identified for selective inhibition of GluN1/GluN2B NMDAR of human. We obtained a set of natural compounds (n = 81,366) from COCONUT, TIPdb, PAMDB, CMNPD, YMDB, and NPAtlas databases, and then virtually screened by an ifenprodil-structure-based pharmacophore model and molecular docking. The top 100 compounds were selected for binding affinity prediction via batch drug–target affinity (BatchDTA). Then, the top 50 compounds were analyzed by absorption, distribution, metabolism, excretion, toxicity (ADMET). Molecular dynamics involving molecular mechanics/position-Boltzmann surface area (MM-PBSA) calculation were performed to further screening. The top 15 compounds with strong binding affinity and ifenprodil, a proven GluN2B-selective NMDAR antagonist, were subjected to molecular dynamic simulations (100 ns), root-mean-square deviation (RMSD), root-mean-square fluctuation (RMSF), radius of gyration (Rg), H-bonds, solvent accessible surface area (SASA), principal component analysis (PCA), and binding free energy calculations. Based on these analyses, one possible lead compound carrying positive charges (CNP0099440) was identified, with great binding affinity and less off-target activity by contrast to ifenprodil. CNP0099440 has great potential to be a GluN1/GluN2B NMDAR antagonist candidate and can be further detected via in vitro and in vivo experiments.

Bayesian networks are increasingly used to quantify the uncertainty of subjective and stochastic concepts such as trust. In this article, we propose a data-driven approach to estimate Bayesian parameters in the domain of wearable medical devices. Our approach extracts the probability of a trust factor being in a specific state directly from the devices (e.g. sensor quality). The strength of the relationship between related factors is defined by expert knowledge and incorporated into the model. We use propagation rules from requirements engineering to estimate how much each trust factor contributes to the related intermediate nodes in the network and ultimately compute the trust score. The trust score is a relative measure of trustworthiness when different devices are evaluated in the same test conditions and using the same Bayesian structure. To evaluate our approach, we developed Bayesian networks for the trust quantification of similar wearable devices from two manufacturers under identical test conditions and noise levels. The results demonstrated the learnability and generalizability of our approach.