Abstract

Machine learning (ML) has been increasingly adopted due to its ability to model complex and non-linearities between river water temperature (RWT) and its predictors (e.g., Air Temperature, AT). Most of these ML approaches have been applied using average AT without any detailed sensitivity analysis of other forms of AT (e.g., maximum and minimum). The present study demonstrates how new ML approaches, such as ridge regression (RR), K-nearest neighbors (KNN) regressor, random forest (RF) regressor, and support vector regression (SVR), can be coupled with Sobol’ global sensitivity analysis (GSA) to predict accurate RWT estimates with the most appropriate form of AT. Furthermore, the proposed ML approaches have been combined with the Ensemble Kalman Filter (EnKF), a data assimilation (DA) technique to improve the predicted values based on the measured data. The proposed modelling …

Abstract

Understanding the relevance of potential (PET) and actual evapotranspiration (AET) in the drought characterization over energy and water-limited regions is unexplored. The present study tries to restructure the Standardized Precipitation Evapotranspiration Index (SPEI) with AET to represent the anomalies of actual water availability in addition to precipitation over India. The AET is estimated using the Budyko hypothesis at annual scale which was validated with Global Land Evaporation Amsterdam Model (GLEAM) satellite-based AET data. AET-based drought index was in more agreement with remote sensing-based drought severity index (DSI) for major drought events compared to PET-based drought index for water-limited zone compared to energy-limited. For water-limited zones, the PET-based drought index has overestimated the drought intensities, while for energy-limited zones such effect is not …

Abstract

Search strategies for the third-generation leptoquarks (LQs) are distinct from other LQ searches, especially when they decay to a top quark and a τ lepton. We investigate the cases of all TeV-scale scalar and vector LQs that decay to either a top-tau pair (charge-1/3 and 5/3 LQs) or a top-neutrino pair (charge2/3 LQs). One can then use the boosted top (which can be tagged efficiently using jet-substructure techniques) and high-pT τ leptons to search for these LQs. We consider two search channels with either one or two taus along with at least one hadronically decaying boosted top quark. We estimate the high luminosity LHC (HL-LHC) search prospects of these LQs by considering both symmetric and asymmetric pair and single production processes. Our selection criteria are optimised to retain events from both pair and single production processes. The combined signal has better prospects than the traditional searches. We include new three-body single production processes to enhance the single production contributions to the combined signal. We identify the interference effect that appears in the dominant single production channel of charge-1/3 scalar LQ (S 1/3 ). This interference is constructive if S 1/3 is weak-triplet and destructive, for a singlet one. As a result, their LHC prospects differ appreciably

Abstract

The U1 leptoquark (LQ) is known to be a suitable candidate for explaining the semileptonic B-decay anomalies. We derive precise limits on its parameter space relevant for the anomalies from the current LHC high-pT dilepton data. We consider an exhaustive list of possible B-anomalies-motivated simple scenarios with one or two new couplings that can also be used as templates for obtaining bounds on more complicated scenarios. To obtain precise limits, we systematically consider all possible U1 production processes that can contribute to the dilepton searches including the resonant pair and single productions, nonresonant t-channel U1 exchange, as well as its large interference with the Standard Model background. We demonstrate how the inclusion of generally ignored resonant productions and signal-background interference contributions in the dilepton signal can lead to stringent exclusion limits. We point out new search channels of U1 that can act as unique tests of the flavour-motivated models. The template scenarios can also be used for future U1 searches at the LHC. We compare the LHC limits with other relevant flavor bounds and find that a TeV-scale U1 can accommodate both RD(∗) and RK(∗) anomalies while satisfying all the bounds.

Abstract

The advent of digital pathology presents opportunities for computer vision for fast, accurate, and objective solutions for histopathological images and aid in knowledge discovery. This work uses deep learning to predict genomic biomarkers - TP53 mutation, PIK3CA mutation, ER status, PR status, HER2 status, and intrinsic subtypes, from breast cancer histopathology images. Furthermore, we attempt to understand the underlying morphology as to how these genomic biomarkers manifest in images. Since gene sequencing is expensive, not always available, or even feasible, predicting these biomarkers from images would help in diagnosis, prognosis, and effective treatment planning. We outperform the existing works with a minimum improvement of 0.02 and a maximum of 0.13 AUROC scores across all tasks. We also gain insights that can serve as hypotheses for further experimentations, including the presence of lymphocytes and karyorrhexis. Moreover, our fully automated workflow can be extended to other tasks across other cancer subtypes.

Abstract

Accuracy on Minnesota Solvation Database (MNSOL) There are classical and quantum-mechanical simulation studies that use the MNSOL as the reference database. We choose solvation model based on density(SMD) for comparison with our CIGIN Model. We also compared CIGIN Model with semi-empirical methods, pure COSMO, and COSMO-RS.

Abstract

Energetically unfavorable Watson–Crick (WC)-like tautomeric forms of nucleobases are known to introduce spontaneous mutations, and contribute to replication, transcription, and translation errors. Recent NMR relaxation dispersion techniques were able to show that wobble (w) G•U mispair exists in equilibrium with the short-lived, low-population WC-like enolic tautomers. Presently, we have investigated the wG•U → WC-like enolic reaction pathway using various theoretical methods: quantum mechanics (QM), molecular dynamics (MD), and combined quantum mechanics/molecular mechanics (QM/MM). The previous studies on QM gas phase calculations were inconsistent with experimental data. We have also explored the environmental effects on the reaction energies by adding explicit water. While the QM-profile clearly becomes endoergic in the presence of water, the QM/MM-profile remains consistently endoergic in the presence and absence of water. Hence, by including microsolvation and QM/MM calculations, the experimental data can be explained. For the G•Uenol → Genol•U pathway, the latter appears to be energetically more favorable throughout all computational models. This study can be considered as a benchmark of various computational models of wG•U to WC-like tautomerization pathways with and without the environmental effects, and may contribute on further studies of other mispairs as well.

Abstract

The coronavirus disease 2019 (COVID-19), caused by the virus SARS-CoV-2, is an acute respiratory disease that has been classified as a pandemic by the World Health Organization (WHO). The sudden spike in the number of infections and high mortality rates have put immense pressure on the public healthcare systems. Hence, it is crucial to identify the key factors for mortality prediction to optimize patient treatment strategy. Different routine blood test results are widely available compared to other forms of data like X-rays, CT-scans, and ultrasounds for mortality prediction. This study proposes machine learning (ML) methods based on blood tests data to predict COVID-19 mortality risk. A powerful combination of five features: neutrophils, lymphocytes, lactate dehydrogenase (LDH), high-sensitivity C-reactive protein (hs-CRP), and age helps to predict mortality with 96% accuracy. Various ML models (neural networks, logistic regression, XGBoost, random forests, SVM, and decision trees) have been trained and performance compared to determine the model that achieves consistently high accuracy across the days that span the disease. The best performing method using XGBoost feature importance and neural network classification, predicts with an accuracy of 90% as early as 16 days before the outcome. Robust testing with three cases based on days to outcome confirms the strong predictive performance and practicality of the proposed model. A detailed analysis and identification of trends was performed using these key biomarkers to provide useful insights for intuitive application. This study provide solutions that would help accelerate the decision-making process in healthcare systems for focused medical treatments in an accurate, early, and reliable manner

Abstract

The studies have shown that with practice, the sequential motor movements are executed as a group of sub-sequences called motor chunks [Lashley, 1951; Rosenbaum et al., 1983, Sakai et al. 2003]. The temporal patterns of these sequential movements reflect a hierarchical and structured representation of the motor sequence. Previous studies [Bapi et al. 2000, Verwey et al. 2003, Sakai et al. 2003] have used multiple canonical paradigms such as serial reaction time task, discrete sequence production task and m×n task to investigate chunking in externally-guided sequencing tasks, i.e., tasks where the external (visual) stimuli explicitly specify the sequence of motor actions. We argue that real-life, practical motor tasks such as playing a keyboard or solving a Rubik’s cube involve internally-guided motor actions, which are volitionally planned and are not externally-specified by the environment. Not many previous studies have examined the chunking phenomenon in such tasks. Motivated by this, our present study investigates chunking in internally-guided discrete sequencing.

Abstract

Motor skill learning involves the acquisition of sequential motor movements with practice. Studies have shown that we learn to execute these sequences efficiently by chaining several elementary actions in sub-sequences called motor chunks. Several experimental paradigms, such as serial reaction task, discrete sequence production, and m × n task, have investigated motor chunking in externally specified sequencing where the environment or task paradigm provides the sequence of stimuli, i.e., the responses are stimulus driven. In this study, we examine motor chunking in a class of more realistic motor tasks that involve internally guided sequencing where the sequence of motor actions is self-generated or internally specified. We employ a grid-navigation task as an exemplar of internally guided sequencing to investigate practice-driven performance improvements due to motor chunking. The participants performed the grid-sailing task (GST) (Fermin et al., 2010), which required navigating (by executing sequential keypresses) a 10 × 10 grid from start to goal position while using a particular type of key mapping between the three cursor movement directions and the three keyboard buttons. We provide empirical evidence for motor chunking in grid-navigation tasks by showing the emergence of subject-specific, unique temporal patterns in response times. Our findings show spontaneous chunking without pre-specified or externally guided structures while replicating the earlier results with a less constrained, internally guided sequencing paradigm