RESUMO

Artificial intelligence has revolutionized many sectors with unparalleled predictive capabilities supported by machine learning (ML). So far, this tool has not been able to provide the same level of development in pharmaceutical nanotechnology. This review discusses the current data science methodologies related to polymeric drug-loaded nanoparticle production from an innovative multidisciplinary perspective while considering the strictest data science practices. Several methodological and data interpretation flaws were identified by analyzing the few qualified ML studies. Most issues lie in following appropriate analysis steps, such as cross-validation, balancing data, or testing alternative models. Thus, better-planned studies following the recommended data science analysis steps along with adequate numbers of experiments would change the current landscape, allowing the exploration of the full potential of ML.

[Box: see text].

Assuntos

RESUMO

This work reports the development of an efficient and precise indoor positioning system utilizing two-dimensional (2D) light detection and ranging (LiDAR) technology, aiming to address the challenging sensing and positioning requirements of the beyond fifth-generation (B5G) mobile networks. The core of this work is the implementation of a 2D-LiDAR system enhanced by an artificial neural network (ANN), chosen due to its robustness against electromagnetic interference and higher accuracy over traditional radiofrequency signal-based methods. The proposed system uses 2D-LiDAR sensors for data acquisition and digital filters for signal improvement. Moreover, a camera and an image-processing algorithm are used to automate the labeling of samples that will be used to train the ANN by means of indicating the regions where the pedestrians are positioned. This accurate positioning information is essential for the optimization of B5G network operation, including the control of antenna arrays and reconfigurable intelligent surfaces (RIS). The experimental validation demonstrates the efficiency of mapping pedestrian locations with a precision of up to 98.787%, accuracy of 95.25%, recall of 98.537%, and an F1 score of 98.571%. These results show that the proposed system has the potential to solve the problem of sensing and positioning in indoor environments with high reliability and accuracy.

RESUMO

Mango (Mangifera indica) is a fruit highly consumed for its flavor and nutrient content. The mango peel is rich in compounds with biological functionality, such as antioxidant activity among others. The influence of microwave-assisted extraction variables on total phenol compounds (TPC) and antioxidant activity (TEAC) of natural extracts obtained from mango peel var. Tommy and Sugar were studied using a response surface methodology (RSM) and Artificial Neural Networks (ANN). TPC of mango peel extract var. Tommy was significantly influenced by time extraction (X1), solvent/plant ratio (X2) and concentration of ethanol (X3) and while mango peel extract var. Sugar was influenced by X2. TEAC by ABTS was significantly influenced by X3. Maximum of TPC (121.3 mg GAE / g of extract) and TEAC (1185.9 µmol Trolox/g extract) for mango peel extract var. Tommy were obtained at X1=23.9s, X2=12.6mL/gand X3=63.2%, and for mango peel extract var. Sugar, the maximum content of TPC (224.86 mg GAE/g extract) and TEAC (2117.7 µmol Trolox/g extract) were obtained at X1=40s, X2=10mL/g and X3=74.9%. The ANN model presented a higher predictive capacity than the RSM (RANN2>RRSM2,RMSEANN

RESUMO

Crop production is being impacted by higher temperatures, which can decrease food yield and pose a threat to human nutrition. In the current study, edible and wild radish sprouts were exposed to elevated growth temperatures along with the exogenous application of various elicitors to activate defense mechanisms. Developmental traits, oxidative damage, glucosinolate and anthocyanin content, and antioxidant capacity were evaluated alongside the development of a predictive model. A combination of four elicitors (citric acid, methyl jasmonate-MeJa, chitosan, and K2SO4) and high temperatures were applied. The accumulation of bioactives was significantly enhanced through the application of two elicitors, K2SO4 and methyl jasmonate (MeJa). The combination of high temperature with MeJa prominently activated oxidative mechanisms. Consequently, an artificial neural network was developed to predict the behavior of MeJa and temperature, providing a valuable projection of plant growth responses. This study demonstrates that the use of elicitors and predictive analytics serves as an effective tool to investigate responses and enhance the nutritional value of Raphanus species sprouts under future conditions of increased temperature.

RESUMO

Thin films of conjugated polymer and enzyme can be used to unravel the interaction between components in a biosensor. Using artificial neural networks (ANNs) improves data interpretability and helps construct models with great capacity for classifying and processing information. The present work used kinetic data from the catalytic activity of urease immobilized in different conjugated polymers to create ANN models using time, substrate concentration, and absorbance as input variables since the models had absorbance in a posterior instant as output value to explore the predictivity of the ANNs. The performance of the models was evaluated by Pearson's correlation coefficient (ρ) and mean squared error (MSE) values. After the learning process, a series of new experiments were performed to verify the generality of the models. As the main results, the best ANN model presented 0.9980 and 3.0736 × 10-5 for ρ and MSE, respectively. For the simulation step, intermediary values of substrate concentration were used. The mean absolute percentage error (MAPE) values were 3.34, 3.07, and 3.78 for 12 mM, 22 mM, and 32 mM concentrations, respectively. Overall, with the simulations, it was possible to ascertain the interpolatory capacity of the model, which has a learning mechanism based on absorbance and time as variables. Thus, the potential of ANNs would be in their use in pre-evaluations, helping to determine the substrate concentration at which there is higher catalytic activity or in determining the linear range of the sensor.

Assuntos

RESUMO

Heart strokes are a significant global health concern, profoundly affecting the wellbeing of the population. Many research endeavors have focused on developing predictive models for heart strokes using ML and DL techniques. Nevertheless, prior studies have often failed to bridge the gap between complex ML models and their interpretability in clinical contexts, leaving healthcare professionals hesitant to embrace them for critical decision-making. This research introduces a meticulously designed, effective, and easily interpretable approach for heart stroke prediction, empowered by explainable AI techniques. Our contributions include a meticulously designed model, incorporating pivotal techniques such as resampling, data leakage prevention, feature selection, and emphasizing the model's comprehensibility for healthcare practitioners. This multifaceted approach holds the potential to significantly impact the field of healthcare by offering a reliable and understandable tool for heart stroke prediction. In our research, we harnessed the potential of the Stroke Prediction Dataset, a valuable resource containing 11 distinct attributes. Applying these techniques, including model interpretability measures such as permutation importance and explainability methods like LIME, has achieved impressive results. While permutation importance provides insights into feature importance globally, LIME complements this by offering local and instance-specific explanations. Together, they contribute to a comprehensive understanding of the Artificial Neural Network (ANN) model. The combination of these techniques not only aids in understanding the features that drive overall model performance but also helps in interpreting and validating individual predictions. The ANN model has achieved an outstanding accuracy rate of 95%.

RESUMO

The manufacturing processes and design of metal and alloy products can be performed over a wide range of strain rates and temperatures. To design and optimize these processes using computational mechanics tools, the selection and calibration of the constitutive models is critical. In the case of hazardous and explosive impact loads, it is not always possible to test material properties. For this purpose, this paper assesses the efficiency and the accuracy of different architectures of ANNs for the identification of the Johnson-Cook material model parameters. The implemented computational tool of an ANN-based parameter identification strategy provides adequate results in a range of strain rates required for general manufacturing and product design applications. Four ANN architectures are studied to find the most suitable configuration for a reduced amount of experimental data, particularly for cases where high-impact testing is constrained. The different ANN structures are evaluated based on the model's predictive capability, revealing that the perceptron-based network of 66 inputs and one hidden layer of 30 neurons provides the highest prediction accuracy of the effective flow stress-strain behavior of Ti64 alloy and three virtual materials.

RESUMO

This study examines the potential for widespread solar photovoltaic panel production in Mexico and emphasizes the country's unique qualities that position it as a strong manufacturing candidate in this field. An advanced model based on artificial neural networks has been developed to predict solar photovoltaic panel plant metrics. This model integrates a state-of-the-art non-linear programming framework using Pyomo as well as an innovative optimization and machine learning toolkit library. This approach creates surrogate models for individual photovoltaic plants including production timelines. While this research, conducted through extensive simulations and meticulous computations, unveiled that Latin America has been significantly underrepresented in the production of silicon, wafers, cells, and modules within the global market; it also demonstrates the substantial potential of scaling up photovoltaic panel production in Mexico, leading to significant economic, social, and environmental benefits. By hyperparameter optimization, an outstanding and competitive artificial neural network model has been developed with a coefficient of determination values above 0.99 for all output variables. It has been found that water and energy consumption during PV panel production is remarkable. However, water consumption (33.16 × 10-4 m3/kWh) and the emissions generated (1.12 × 10-6 TonCO2/kWh) during energy production are significantly lower than those of conventional power plants. Notably, the results highlight a positive economic trend, with module production plants generating the highest profits (35.7%) among all production stages, while polycrystalline silicon production plants yield comparatively lower earnings (13.0%). Furthermore, this study underscores a critical factor in the photovoltaic panel production process which is that cell production plants contribute the most to energy consumption (39.7%) due to their intricate multi-stage processes. The blending of Machine Learning and optimization models heralds a new era in resource allocation for a more sustainable renewable energy sector, offering a brighter, greener future.

Assuntos

RESUMO

This work assessed the impact of laser wavelength and sample conditioning on offline monitoring (viable cell density, cell viability, virus titer, glucose, lactate, glutamine, glutamate, and ammonium) of SARS-CoV-2 viruslike particles production upstream stage by Raman spectroscopy. The evaluated chemometrics techniques were Partial Least Squares (PLS) and Artificial Neural Networks (ANN), and different spectral filtering approaches were also considered. ANN showed better prediction capacity for most of the parameters, but ammonium and lactate, better predicted by PLS, and glutamine, no difference between modeling techniques was detected. For cell growth parameters and virus titer, samples without cells measured at 785 nm Raman laser wavelength originated better-adjusted models. This laser wavelength was also more appropriate for the remaining monitored experimental parameters except for glucose, in which the best model came from the spectral database acquired at 1064 nm wavelength. Cell remotion significantly increased the accuracy of viable cell density, cell viability, glutamate, and virus titer models. However, glucose, lactate, and ammonium models showed better prediction capacity for samples containing cells. Thus, it was demonstrated that laser wavelength, sample conditioning, spectral preprocessing, and chemometric modeling techniques need to be tailored for each experimental parameter to improve accuracy.

RESUMO

Traffic simulations are valuable tools for urban mobility planning and operation, particularly in large cities. Simulation-based microscopic models have enabled traffic engineers to understand local transit and transport behaviors more deeply and manage urban mobility. However, for the simulations to be effective, the transport network and user behavior parameters must be calibrated to mirror real scenarios. In general, calibration is performed manually by traffic engineers who use their knowledge and experience to adjust the parameters of the simulator. Unfortunately, there is still no systematic and automatic process for calibrating traffic simulation networks, although some methods have been proposed in the literature. This study proposes a methodology that facilitates the calibration process, where an artificial neural network (ANN) is trained to learn the behavior of the transport network of interest. The ANN used is the Multi-Layer Perceptron (MLP), trained with back-propagation methods. Based on this learning procedure, the neural network can select the optimized values of the simulation parameters that best mimic the traffic conditions of interest. Experiments considered two microscopic models of traffic and two psychophysical models (Wiedemann 74 and Wiedemann 99). The microscopic traffic models are located in the metropolitan region of São Paulo, Brazil. Moreover, we tested the different configurations of the MLP (layers and numbers of neurons) as well as several variations of the backpropagation training method: Stochastic Gradient Descent (SGD), Adam, Adagrad, Adadelta, Adamax, and Nadam. The results of the experiments show that the proposed methodology is accurate and efficient, leading to calibration with a correlation coefficient greater than 0.8, when the calibrated parameters generate more visible effects on the road network, such as travel times, vehicle counts, and average speeds. For the psychophysical parameters, in the most simplified model (W74), the correlation coefficient was greater than 0.7. The advantage of using ANN for the automatic calibration of simulation parameters is that it allows traffic engineers to carry out comprehensive studies on a large number of future scenarios, such as at different times of the day, as well as on different days of the week and months of the year.