With the advances in artificial intelligence (AI), data‐driven algorithms are becoming increasingly popular in the medical domain. However, due to the nonlinear and complex behavior of many of these algorithms, decision‐making by such algorithms is not trustworthy for clinicians and is considered a black‐box process. Hence, the scientific community has introduced explainable artificial intelligence (XAI) to remedy the problem. This systematic scoping review investigates the application of XAI in breast cancer detection and risk prediction. We conducted a comprehensive search on Scopus, IEEE Explore, PubMed, and Google Scholar (first 50 citations) using a systematic search strategy. The search spanned from January 2017 to July 2023, focusing on peer‐reviewed studies implementing XAI methods in breast cancer datasets. Thirty studies met our inclusion criteria and were included in the analysis. The results revealed that SHapley Additive exPlanations (SHAP) is the top model‐agnostic XAI technique in breast cancer research in terms of usage, explaining the model prediction results, diagnosis and classification of biomarkers, and prognosis and survival analysis. Additionally, the SHAP model primarily explained tree‐based ensemble machine learning models. The most common reason is that SHAP is model agnostic, which makes it both popular and useful for explaining any model prediction. Additionally, it is relatively easy to implement effectively and completely suits performant models, such as tree‐based models. Explainable AI improves the transparency, interpretability, fairness, and trustworthiness of AI‐enabled health systems and medical devices and, ultimately, the quality of care and outcomes.
Predicting the thermal properties of nanoporous materials is a major challenge that affects their applications in efficient thermal insulation and energy storage. This narrative review discusses the application of machine learning models in nanoporous materials, including covalent organic frameworks, metal–organic frameworks, aerogels, and zeolites. It discusses model advancements, with a focus on predictive accuracy and computational efficiency. This includes models such as convolutional neural networks, graph neural networks, and physics-informed neural networks. This study also addresses the limitations of these data-driven models, including data availability, challenges in maintaining physical consistency, and difficulties in generalizing across various material families. Additionally, it covers emerging approaches such as multimodal and transfer learning, which are explored for their potential to reduce computational costs. Moreover, the benefits of interpretable machine learning methods for understanding underlying physical mechanisms are introduced and highlighted. This review provides comprehensive and practical guidelines for researchers using machine learning approaches in the study and design of nanoporous materials.
Nanoparticle-based drugs offer attractive advantages like targeted delivery to the diseased site and size and shape-controlled properties. Therefore, understanding the particulate flow of the nanodrugs is important for effective delivery, accurate prediction of required dosage, and developing efficient drug delivery platforms for nanodrugs. In this study, the transport of nanodrugs including flow velocity and deposition is investigated using three model metal oxide nanodrugs of different sizes including iron oxide, zinc oxide, and combined Cu-Zn-Fe oxide synthesized via a modified polyol approach. The hydrodynamic size, size, morphology, chemical composition, crystal phase, and surface functional groups of the water-soluble nanodrugs were characterized via dynamic light scattering, transmission electron microscopy, scanning electron microscopy-energy dispersive X-ray, X-ray diffraction, and fourier transform infrared spectroscopy, respectively. Two different biomimetic flow channels with customized surfaces are developed via 3D printing to experimentally monitor the velocity and deposition of the different nanodrugs. A diffusion dominated mechanism of flow is seen in size ranges 92 nm to 110 nm of the nanodrugs, from the experimental velocity and mass loss profiles. The flow velocity analysis also shows that the transport of nanodrugs is controlled by sedimentation processes in the larger size ranges of 110–302 nm. However, the combined overview from experimental mass loss and velocity trends indicates presence of both diffusive and sedimentation forces in the 110–302 nm size ranges. It is also discovered that the nanodrugs with higher positive surface charges are transported faster through the two test channels, which also leads to lower deposition of these nanodrugs on the walls of the flow channels. The results from this study will be valuable in realizing reliable and cost-effective in vitro experimental approaches that can support in vivo methods to predict the flow of new nanodrugs.
In spectral/finite element methods, a robust and stable high-order polynomial approximation method for the solution can significantly reduce the required number of degrees of freedom (DOFs) to achieve a certain level of accuracy. In this work, a closed-form relation is proposed to approximate the Fekete points (AFPs) on arbitrary shape domains based on the singular value decomposition (SVD) of the Vandermonde matrix. In addition, a novel method is derived to compute the moments on highly complex domains, which may include discontinuities. Then, AFPs are used to generate compatible basis functions using SVD. Equations are derived and presented to determine orthogonal/orthonormal modal basis functions, as well as the Lagrange basis. Furthermore, theorems are proved to show the convergence and accuracy of the proposed method, together with an explicit form of the Weierstrass theorem for polynomial approximation. The method was implemented and some classical cases were analyzed. The results show the superior performance of the proposed method in terms of convergence and accuracy using many fewer DOFs and, thus, a much lower computational cost. It was shown that the orthogonal modal basis is the best choice to decrease the DOFs while maintaining a small Lebesgue constant when very high degree of polynomial is employed.