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Introduction: Music is known to elicit strong emotions in listeners, and, if primed appropriately, can give rise to specific and observable crossmodal correspondences. This study aimed to assess two primary objectives: (1) identifying crossmodal correspondences emerging from music-induced emotions, and (2) examining the predictability of music-induced emotions based on the association of music with visual shapes and materials. Methods: To achieve this, 176 participants were asked to associate visual shapes and materials with the emotion classes of the Geneva Music-Induced Affect Checklist scale (GEMIAC) elicited by a set of musical excerpts in an online experiment. Results: Our findings reveal that music-induced emotions and their underlying core affect (i.e., valence and arousal) can be accurately predicted by the joint information of musical excerpt and features of visual shapes and materials associated with these music-induced emotions. Interestingly, valence and arousal induced by music have higher predictability than discrete GEMIAC emotions. Discussion: These results demonstrate the relevance of crossmodal correspondences in studying music-induced emotions. The potential applications of these findings in the fields of sensory interactions design, multisensory experiences and art, as well as digital and sensory marketing are briefly discussed.

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Motivation: One of the most relevant mechanisms involved in the determination of chromatin structure is the formation of structural loops that are also related with the conservation of chromatin states. Many of these loops are stabilized by CCCTC-binding factor (CTCF) proteins at their base. Despite the relevance of chromatin structure and the key role of CTCF, the role of the epigenetic factors that are involved in the regulation of CTCF binding, and thus, in the formation of structural loops in the chromatin, is not thoroughly understood. Results: Here we describe a CTCF binding predictor based on Random Forest that employs different epigenetic data and genomic features. Importantly, given the ability of Random Forests to determine the relevance of features for the prediction, our approach also shows how the different types of descriptors impact the binding of CTCF, confirming previous knowledge on the relevance of chromatin accessibility and DNA methylation, but demonstrating the effect of epigenetic modifications on the activity of CTCF. We compared our approach against other predictors and found improved performance in terms of areas under PR and ROC curves (PRAUC-ROCAUC), outperforming current state-of-the-art methods.

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En este trabajo consideramos 148 semioquímicos reportados para la familia Scarabaeidae, cuya estructura química fue caracterizada empleando un conjunto de 200 descriptores moleculares de cinco clases distintas. La selección de los descriptores más discriminantes se realizó con tres técnicas: análisis de componentes principales, por cada clase de descriptores, bosques aleatorios y Boruta-Shap, aplicados al total de descriptores. A pesar de que las tres técnicas son conceptualmente diferentes, seleccionan un número de descriptores similar de cada clase. Propusimos una combinación de técnicas de aprendizaje de máquina para buscar un patrón estructural en el conjunto de semioquímicos y posteriormente realizar la clasificación de estos. El patrón se estableció a partir de la alta pertenencia de un subconjunto de estos metabolitos a los grupos que fueron obtenidos por un método de agrupamiento basado en lógica difusa, C-means; el patrón descubierto corresponde a las rutas biosintéticas por las cuales se obtienen biológicamente. Esta primera clasificación se corroboró con el empleo de mapas autoorganizados de Kohonen. Para clasificar aquellos semioquímicos cuya pertenencia a una ruta no quedaba claramente definida, construimos dos modelos de perceptrones multicapa, los cuales tuvieron un desempeño aceptable.

In this work we consider 148 semiochemicals reported for the family Scarabaeidae, whose chemical structure was characterized using a set of 200 molecular descriptors from five different classes. The selection of the most discriminating descriptors was carried out with three different techniques: Principal Component Analysis, for each class of descriptors, Random Forests and Boruta-Shap, applied to the total of descriptors. Although the three techniques are conceptually different, they select a similar number of descriptors from each class. We proposed a combination of machine learning techniques to search for a structural pattern in the set of semiochemicals and then perform their classification. The pattern was established from the high belonging of a subset of these metabolites to the groups that were obtained by a grouping method based on fuzzy C-means logic; the discovered pattern corresponds to the biosynthetic pathway by which they are obtained biologically. This first classification was corroborated with Kohonen's self-organizing maps. To classify those semiochemicals whose belonging to a biosynthetic pathway was not clearly defined, we built two models of Multilayer Perceptrons which had an acceptable performance.

Neste trabalho consideramos 148 semioquímicos reportados para a família Scarabaeidae, cuja estrutura química foi caracterizada usando um conjunto de 200 descritores moleculares de 5 classes diferentes. A seleção dos descritores mais discriminantes foi realizada com três técnicas diferentes: Análise de Componentes Principais, para cada classe de descritores, Florestas Aleatórias e Boruta-Shap, aplicadas a todos os descritores. Embora as três técnicas sejam conceitualmente diferentes, elas selecionaram um número semelhante de descritores de cada classe. Nós propusemos uma combinação de técnicas de aprendizado de máquina para buscar um padrão estrutural no conjunto de semioquímicos e então realizar sua classificação. O padrão foi estabelecido a partir da alta pertinência de um subconjunto desses metabólitos aos grupos que foram obtidos por um método de agrupamento baseado em lógica fuzzy, C-means; o padrão descoberto corresponde às rotas biossintéticas pelas quais eles são obtidos biologicamente. Essa primeira classificação foi corroborada com o uso dos mapas auto-organizados de Kohonen. Para classificar os semioquímicos cuja pertença a uma rota não foi claramente definida, construímos dois modelos de Perceptrons Multicamadas que tiveram um desempenho aceitável.

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Electron Microscopy Maps are key in the study of bio-molecular structures, ranging from borderline atomic level to the sub-cellular range. These maps describe the envelopes that cover possibly a very large number of proteins that form molecular machines within the cell. Within those envelopes, we are interested to find what regions correspond to specific proteins so that we can understand how they function, and design drugs that can enhance or suppress a process that they are involved in, along with other experimental purposes. A classic approach by which we can begin the exploration of map regions is to apply a segmentation algorithm. This yields a mask where each voxel in 3D space is assigned an identifier that maps it to a segment; an ideal segmentation would map each segment to one protein unit, which is rarely the case. In this work, we present a method that uses bio-inspired optimization, through an Evolutionary-Optimized Segmentation algorithm, to iteratively improve upon baseline segments obtained from a classical approach, called watershed segmentation. The cost function used by the evolutionary optimization is based on an ideal segmentation classifier trained as part of this development, which uses basic structural information available to scientists, such as the number of expected units, volume and topology. We show that a basic initial segmentation with the additional information allows our evolutionary method to find better segmentation results, compared to the baseline generated by the watershed.

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BACKGROUND: Strawberry quality is one of the most important factors that guarantees consistent commercialization of the fruit and ensures the consumer's satisfaction. This work makes innovative use of random forest (RF) to predict sensory measures of strawberries using physical and physical-chemical variables. Furthermore, it also employs these same physical and physical-chemical variables to classify strawberries in the classes "satisfied" or "not satisfied" and "would pay more" or "wouldn't pay more. The RF-based model predicts the acceptance, expectation, ideal of sweetness, ideal of acidity, and the ideal of succulence based on the physical and physical-chemical data. Then, the predicted parameters are used as input for the RF-based classification model. RESULTS: The RF achieved a coefficient of determination R2 > 0.72 and a root-mean-squared error (RMSE) smaller than 0.17 for the prediction task, which indicates that one can estimate the sensory measures of strawberries using physical and physical-chemical data. Furthermore, the RF was able to classify 87.95% of the strawberry samples correctly into the classes 'satisfied' and 'not satisfied' and 78.99% in the classes 'would pay more' or 'would not pay more'. A two-step RF model, which employed both physical and physical-chemical data to classify strawberry samples regarding the consumer's response also correctly classified 100% and 90.32% of the samples with respect to consumers' satisfaction and their willingness to pay more, respectively. CONCLUSION: The results indicate that the developed models can be used in the quality control of strawberries, supporting the establishment of quality standards that consider the consumer's response. The proposed methodology can be extended to control the sensory quality of other fruits. © 2021 Society of Chemical Industry.

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Cruzain is an established target for the identification of novel trypanocidal agents, but how good are in vitro/in vivo correlations? This work describes the development of a random forests model for the prediction of the bioavailability of cruzain inhibitors that are Trypanosoma cruzi killers. Some common properties that characterize drug-likeness are poorly represented in many established cruzain inhibitors. This correlates with the evidence that many high-affinity cruzain inhibitors are not trypanocidal agents against T. cruzi. On the other hand, T. cruzi killers that present typical drug-like characteristics are likely to show better trypanocidal action than those without such features. The random forests model was not outperformed by other machine learning methods (such as artificial neural networks and support vector machines), and it was validated with the synthesis of two new trypanocidal agents. Specifically, we report a new lead compound, Neq0565, which was tested on T. cruzi Tulahuen (ß-galactosidase) with a pEC50 of 4.9. It is inactive in the host cell line showing a selectivity index (SI = EC50cyto /EC50T. cruzi ) higher than 50.

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The high biodiversity of the Mexican montane forests is concentrated on the Trans-Mexican Volcanic Belt, where several Protected Natural Areas exist. Our study examines the projected changes in suitable climatic habitat for five conifer species that dominate these forests. The species are distributed sequentially in overlapping altitudinal bands: Pinus hartwegii at the upper timberline, followed by Abies religiosa, the overwintering host of the Monarch butterfly at the Monarch Butterfly Biosphere Reserve, P. pseudostrobus, the most important in economic terms, and P. devoniana and P. oocarpa, which are important for resin production and occupy low altitudes where montane conifers merge with tropical dry forests. We fit a bioclimatic model to presence-absence observations for each species using the Random Forests classification tree with ground plot data. The models are driven by normal climatic variables from 1961 to 1990, which represents the reference period for climate-induced vegetation changes. Climate data from an ensemble of 17 general circulation models were run through the classification tree to project current distributions under climates described by the RCP 6.0 watts/m2 scenario for the decades centered on years 2030, 2060 and 2090. The results suggest that, by 2060, the climate niche of each species will occur at elevations that are between 300 to 500 m higher than at present. By 2060, habitat loss could amount to 46-77%, mostly affecting the lower limits of distribution. The two species at the highest elevation, P. hartwegii and A. religiosa, would suffer the greatest losses while, at the lower elevations, P. oocarpa would gain the most niche space. Our results suggest that conifers will require human assistance to migrate altitudinally upward in order to recouple populations with the climates to which they are adapted. Traditional in situ conservation measures are likely to be equivalent to inaction and will therefore be incapable of maintaining current forest compositions.

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This is a pioneering work in South America to model the exposure of cyclists to black carbon (BC) while riding in an urban area with high spatiotemporal variability of BC concentrations. We report on mobile BC concentrations sampled on 10 biking sessions in the city of Curitiba (Brazil), during rush hours of weekdays, covering four routes and totaling 178 km. Moreover, simultaneous BC measurements were conducted within a street canyon (street and rooftop levels) and at a site located 13 km from the city center. We used two statistical approaches to model the BC concentrations: multiple linear regression (MLR) and a machine-learning technique called random forests (RF). A pool of 25 candidate variables was created, including pollution measurements, traffic characteristics, street geometry and meteorology. The aggregated mean BC concentration within 30-m buffers along the four routes was 7.09 µg m-3, with large spatial variability (5th and 95th percentiles of 1.75 and 16.83 µg m-3, respectively). On average, the concentrations at the street canyon façade (5 m height) were lower than the mobile data but higher than the urban background levels. The MLR model explained a low percentage of variance (24%), but was within the values found in the literature for on-road BC mobile data. RF explained a larger variance (54%) with the additional advantage of having lower requirements for the target and predictor variables. The most impactful predictor for both models was the traffic rate of heavy-duty vehicles. Thus, to reduce the BC exposure of cyclists and residents living close to busy streets, we emphasize the importance of renewing and/or retrofitting the diesel-powered fleet, particularly public buses with old vehicle technologies. Urban planners could also use this valuable information to project bicycle lanes with greater separation from the circulation of heavy-duty diesel vehicles.

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This paper investigates the current monitoring for effective fault diagnosis in induction motor (IM) by using random forest (RF) algorithms. A rotor bar breakage of IM does not derive in a catastrophic fault but its timely detection can avoid catastrophic consequences in the stator or prevent malfunctioning of those applications in which this sort of fault is the primary concern. Current-based fault signatures depend enormously on the IM power source and in the load connected to the motor. Hence, homogeneous sets of current signals were acquired through multiple experiments at particular loading torques and IM feedings from an experimental test bench in which incipient rotor severities were considered. Understanding the importance of each fault signature in relation to its diagnosis performance is an interesting matter. To this end, we propose a hybrid approach based on Simulated Annealing algorithm to conduct a global search over the computed feature set for feature selection purposes, which reduce the computational requirements of the diagnosis tool. Then, a novel Oblique RF classifier is used to build multivariate trees, which explicitly learn optimal split directions at internal nodes through penalized Ridge regression. This algorithm has been compared with other state-of-the-art classifiers through careful evaluation of performance measures not encountered in this field.

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Soil bulk density (b) data are needed for a wide range of environmental studies. However, b is rarely reported in soil surveys. An alternative to obtain b for data-scarce regions, such as the Rio Doce basin in southeastern Brazil, is indirect estimation from less costly covariates using pedotransfer functions (PTF). This study primarily aims to develop region-specific PTFs for b using multiple linear regressions (MLR) and random forests (RF). Secondly, it assessed the accuracy of PTFs for data grouped into soil horizons and soil classes. For that purpose, we compared the performance of PTFs compiled from the literature with those developed here. Two groups of data were evaluated as covariates: 1) readily available soil properties and 2) maps derived from a digital elevation model and MODIS satellite imagery, jointly with lithological and pedological maps. The MLR model was applied step-wise to select significant predictors and its accuracy assessed by means of cross-validation. The PTFs developed using all data estimated b from soil properties by MLR and RF, with R2 of 0.41 and 0.51, respectively. Alternatively, using environmental covariates, RF predicted b with R2 of 0.41. Grouping criteria did not lead to a significant increase in the estimates of b. The accuracy of the regional PTFs developed for this study was greater than that found with the compiled PTFs. The best PTF will be firstly used to assess soil carbon stocks and changes in the Rio Doce basin.

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Soil bulk density (b) data are needed for a wide range of environmental studies. However, b is rarely reported in soil surveys. An alternative to obtain b for data-scarce regions, such as the Rio Doce basin in southeastern Brazil, is indirect estimation from less costly covariates using pedotransfer functions (PTF). This study primarily aims to develop region-specific PTFs for b using multiple linear regressions (MLR) and random forests (RF). Secondly, it assessed the accuracy of PTFs for data grouped into soil horizons and soil classes. For that purpose, we compared the performance of PTFs compiled from the literature with those developed here. Two groups of data were evaluated as covariates: 1) readily available soil properties and 2) maps derived from a digital elevation model and MODIS satellite imagery, jointly with lithological and pedological maps. The MLR model was applied step-wise to select significant predictors and its accuracy assessed by means of cross-validation. The PTFs developed using all data estimated b from soil properties by MLR and RF, with R2 of 0.41 and 0.51, respectively. Alternatively, using environmental covariates, RF predicted b with R2 of 0.41. Grouping criteria did not lead to a significant increase in the estimates of b. The accuracy of the regional PTFs developed for this study was greater than that found with the compiled PTFs. The best PTF will be firstly used to assess soil carbon stocks and changes in the Rio Doce basin.(AU)

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Background. Mexico has the world's fifth largest population of amphibians and the second country with the highest quantity of threatened amphibian species. About 10% of Mexican amphibians lack enough data to be assigned to a risk category by the IUCN, so in this paper we want to test a statistical tool that, in the absence of specific demographic data, can assess a species' risk of extinction, population trend, and to better understand which variables increase their vulnerability. Recent studies have demonstrated that the risk of species decline depends on extrinsic and intrinsic traits, thus including both of them for assessing extinction might render more accurate assessment of threats. Methods. We harvested data from the Encyclopedia of Life (EOL) and the published literature for Mexican amphibians, and used these data to assess the population trend of some of the Mexican species that have been assigned to the Data Deficient category of the IUCN using Random Forests, a Machine Learning method that gives a prediction of complex processes and identifies the most important variables that account for the predictions. Results. Our results show that most of the data deficient Mexican amphibians that we used have decreasing population trends. We found that Random Forests is a solid way to identify species with decreasing population trends when no demographic data is available. Moreover, we point to the most important variables that make species more vulnerable for extinction. This exercise is a very valuable first step in assigning conservation priorities for poorly known species.