RNA interference (RNAi) has become a widely utilised method to study gene function, yet despite this, many of the mechanisms surrounding RNAi remain elusive. The core RNAi machinery is relatively well understood, however many of the systemic mechanisms, particularly double stranded RNA (dsRNA) transport, are not. Here, we demonstrate that dsRNA binding proteins in the serum contribute to systemic RNAi, and may be the limiting factor in RNAi capacity for species such as spiny lobsters where gene silencing is not functional. Incubating serum from a variety of species across phyla with dsRNA led to a gel mobility shift in species where systemic RNAi has been observed, with this response being absent in species where systemic RNAi has never been observed. Proteomic analysis suggested lipoproteins may be responsible for this phenomenon, and may transport dsRNA to spread the RNAi signal systemically. Following this, we identified the same gel shift in the slipper lobster Thenus australiensis and subsequently silenced the insulin androgenic gland hormone, marking the first time RNAi has been performed in any lobster species. These results pave the way for inducing RNAi in spiny lobsters, and better understanding the mechanisms of systemic RNAi in Crustacea, as well as across phyla.

This paper presents GeoFlood, a new open-source software package for solving shallow water equations (SWE) on a quadtree hierarchy of mapped, logically Cartesian grids managed by the parallel, adaptive library ForestClaw (Calhoun and Burstedde, 2017). The GeoFlood model is validated using standard benchmark tests from Neelz and Pender (2013) and against George (2011) results obtained from the GeoClaw software (Clawpack Development Team, 2020) for the historical Malpasset dam failure problem. The benchmark test results are compared against GeoClaw and software package HEC-RAS (Hydraulic Engineering Center - River Analysis System, Army Corp of Engineers) results (Brunner, 2018). This comparison demonstrates the capability of GeoFlood to accurately and efficiently predict flood wave propagation on complex terrain. The results from comparisons with the Malpasset dam break show good agreement with the GeoClaw results and are consistent with the historical records of the event.

This study addresses the central question that how can a precise measurement of the gluon Parton Distribution Function (PDF) be attained, thereby enhancing our understanding of the intricate quark-gluon composition within nucleons? Through a dual approach involving Quantum Chromodynamics (QCD) and high-energy particle collisions, the research combines computational tools and experimental techniques, focusing on protons and neutrons. Scattering experiments and advanced detectors are utilized to probe nucleon structure. Theoretical frameworks like QCD equations and the Momentum Sum Rule investigate Parton Distribution Functions at specific momentum fractions and energy scales. The primary goal is to achieve an accurate measurement of the gluon PDF, crucial for unraveling strong force complexities and internal nucleon dynamics. The study's theoretical plots and equations illustrate hypothetical behaviors of gluon distribution, quark distribution, and splitting functions, contributing to a deeper understanding of fundamental particles.

This paper analyzes the collection of George Viau (1855-1939) from a computational perspective. Indeed, this dental surgeon, close to the Impressionists, collected several hundred works of art in the first half of the 20th century: the auctions of his collection, in 1907, 1930 and after his death, in 1942, 1943 and 1948, accounted for 642 artworks and, during the Occupation, the 1942 sale produced a total of more than 46 million francs. Thanks to statistics, econometrics, network analysis and cartography, it is possible to understand the salient features of the collection and its place in the world of Parisian auctions.

In this work we study the following problem, from a computational point of view: If three points are selected in the unit square at random, what is the probability that the triangle obtained is obtuse, acute or right? We provide two convergent strategies: the frst derived from the ideas introduced in [2] and the second built on the combinatorics theory. The combined use of these two methods allows us to address the random triangle theory from a new perspective and, we hope, to work out a general method of dealing with some classes of computational problems.

Concrete is a heterogeneous material with a disordered material morphology that strongly governs the behavior of the material. In this contribution, we present a computational tool called the Concrete Mesostructure Generator (CMG) for the generation of ultra-realistic virtual concrete morphologies for mesoscale and multiscale computational modeling and simulation of concrete. Given an aggregate size distribution, realistic generic concrete aggregates are generated by a sequential reduction of a cuboid to generate a polyhedron with multiple faces. Thereafter, concave depressions are introduced in the polyhedron using gaussian surfaces. The generated aggregates are assembled into the mesostructure using a hierarchic random sequential adsorption algorithm. The virtual mesostructures are first calibrated using laboratory measurements of aggregate distributions. The model is validated by comparing the elastic properties obtained from laboratory testing of concrete specimens with the elastic properties obtained using computational homogenisation of virtual concrete mesostructures. Finally, a 3D-convolutional neural network is trained to directly generate elastic properties from voxel data.

In the power plant industry, the turbine inlet temperature (TIT) plays a key role in the efficiency of the gas turbine and, therefore, the overall—in most cases combined—thermal power cycle efficiency. Gas turbine efficiency increases by increasing TIT. However, an increase of TIT would increase the turbine component temperature which can be critical (e.g., hot gas attack). Thermal barrier coatings (TBCs)—porous media coatings—can avoid this case and protect the surface of the turbine blade. This combination of TBC and film cooling produces a better cooling performance than conventional cooling processes. The effective thermal conductivity of this composite is highly important in design and other thermal/structural assessments. In this article, the effective thermal conductivity of a simplified model of TBC is evaluated. This work details a numerical study on the steady-state thermal response of two-phase porous media in two dimensions using personal finite element analysis (FEA) code. Specifically, the system response quantity (SRQ) under investigation is the dimensionless effective thermal conductivity of the domain. A thermally conductive matrix domain is modeled with a thermally conductive circular pore arranged in a uniform packing configuration. Both the pore size and the pore thermal conductivity are varied over a range of values to investigate the relative effects on the SRQ. In this investigation, an emphasis is placed on using code and solution verification techniques to evaluate the obtained results. The method of manufactured solutions (MMS) was used to perform code verification for the study, showing the FEA code to be second-order accurate. Solution verification was performed using the grid convergence index (GCI) approach with the global deviation uncertainty estimator on a series of five systematically refined meshes for each porosity and thermal conductivity model configuration. A comparison of the SRQs across all domain configurations is made, including uncertainty derived through the GCI analysis.

Maximizing the indications potential and revenue from drugs that are already marketed offers a new take on the famous mantra of the Nobel Prize-winning pharmacologist, Sir James Black, “The most fruitful basis for the discovery of a new drug is to start with an old drug”. However, rational design of drug mixtures poses formidable challenges because of the lack of or limited information about in vivo cell regulation, mechanisms of genetic pathway activation, and in vivo pathway interactions. Most of the repositioned drugs therefore are the result of “serendipity” - based on late phase clinical studies of unexpected findings. One of the reasons that the connection between drug candidates and their potential adverse drug reactions or new applications could not be identified earlier is that the underlying mechanism associating them is either very intricate and unknown or dispersed and buried in a sea of information. Discovery of such multi-domain pharmacomodules - pharmacologically relevant sub-networks of biomolecules and/or pathways - from collection of databases by independent/simultaneous mining of multiple datasets is an active area of research. Here, while presenting some of the promising bioinformatics approaches and pipelines, we summarize and discuss the current and evolving landscape of computational drug repositioning.

Soil texture is key information in agriculture for improving soil knowledge and crop performance, so the accurate mapping of this crucial feature is imperative for rationally planning cultivations and for targeting interventions. We studied the relationship between radioelements and soil texture in the Mezzano Lowland (Italy), a 189 km² agricultural plain investigated through a dedicated airborne gamma-ray spectroscopy survey. The K and Th abundances were used to retrieve the clay and sand content by means of a multi-approach method. Linear (simple and multiple) and non-linear (machine learning algorithms with deep neural networks) predictive models were trained and tested adopting a 1:50,000 scale soil texture map. The comparison of these approaches highlighted that the non-linear model introduces significant improvements in the prediction of soil texture fractions. The predicted maps of the clay and of the sand content were compared with the regional soil maps. Although the macro-structures were equally present, the airborne gamma-ray data permits us shedding light on finer features. Map areas with higher clay content were coincident with paleo-channels crossing the Mezzano Lowland in Etruscan and Roman periods, confirmed by the hydrographic setting of historical maps and by the geo-morphological features of the study area.

Abstract: In network science and big data, the concept of finding meaningful infrastructures in networks has emerged as a method of finding groups of entities with similar properties within very complex systems. The whole concept is generally based on finding subnetworks which have more properties (links) amongst nodes belonging to the same cluster than nodes in other groups (A concept presented by Girvan and Newman, 2002). Today meaningful infrastructure identification is applied in all types of networks from computer networks, to social networks to biological networks. In this article we will look at how meaningful infrastructure identification is applied in biological networks. This concept is important in biological networks as it helps scientist discover patterns in proteins or drugs which helps in solving many medical mysteries. This article will encompass the different algorithms that are used for meaningful infrastructure identification in biological networks. These include Genetic Algorithm, Differential Evolution, Water Cycle Algorithm (WCA), Walktrap Algorithm, Connect Intensity Iteration Algorithm (CIIA), Firefly algorithms and Overlapping Multiple Label Propagation Algorithm. These al-gorithms are compared with using performance measurement parameters such as the Mod-ularity, Normalized Mutual Information, Functional Enrichment, Recall and Precision, Re-dundancy, Purity and Surprise, which we will also discuss here.

In the radar system, detection represents a basic and important stage in the receiver side. The detection process is based on the thresholding criteria; two philosophies of this criteria, constant and adaptive threshold. The constant threshold is simple in design, but it has a mis-detection and does not control the false alarm rate. As for the adaptive threshold, it is powerful in target detection, and better control of the false alarm rate, where it is called Constant False Alarm Rate (CFAR). Lots of research in the CFAR design, but the gap in the previous works is that there is no CFAR algorithm can be working with all or most environmental fields and all or most target situations.In this paper, The CFAR, which can work with the most environment and most of the target situations, has been presented. The producing the design and implementation of the new practical CFAR processor is presented. Where, the new CFAR is a combination of the properties of three different CFAR algorithm (CA, OSGO, and OSSO), and from two different families; averaging and statistical. Where it has overperformed of it's is 97.25% for simulation and 96.25% for the implementable version for different target situations. The simulation analysis is made by using Matlab 2015, while the implementation is done by using Xilinx Spartan 700 3a.

The development of reliable predictive algorithm for house price as the housing market is a stand-out among the most involved regarding valuing the price and continues to fluctuate, is constantly a need for socio-economic advancement and welfare of citizen. In this paper, we develop machine learning algorithms for forecasting UK housing Price, and find an optimal algorithm that forecasts housing price accurately on the premises of the presence of many features or covariates. After applying correlation analysis to remove correlated variables in order to avoid multicollinearity, thereby increasing the statistical power, a novel method of using regression analysis to first of all understand and select statistically significant features for the various regions in England based on North South divide is adopted. These features are then used in the machine learning algorithm to further increase the statistical power of the algorithm, increase the level of accuracy for each of them and ultimately increase the predictive values for the algorithms. The model construction involves 3 stages: 1- correlation analysis to identify and remove correlated variables thereby avoiding multicollinearity and increasing the statistical power of the linear regression, 2 - using linear regression to determine variables that are statistically significant and 3 - building the machine learning algorithms based on the variables that are statistically significant from the linear regression. A comprehensive dataset of UK Paid housing Price from 2010 to 2019 was linked to a number of other datasets to generate a total 21 variables or features used for the models. Catboost, Gradient Boosting, Bagging, Random Forest, Extra Tree all achieved the excellent models performance result in all the regions considered. The comparison of the seven models showed that Extra Tree algorithm consistently achieved the best performance in term of level of accuracy in all the regions. K-Nearest Neighbours (KNN) is the only algorithm with less than 50% level of accuracy. Noticeably, the regions considered had varying or differing insignificant variables, implying that although many variables are common (statistically significant) to all the regions, there are regional differences and impact when modelling or predicting housing prices. This study validates the practicability of developing a machine learning methodology for the prediction of housing price. This research offers a reference for future house price prediction based on machine learning.

This work proposes a physics-based identification technique based on genetic algorithms. The main objective is to obtain a parametric matrix A that describes the time-invariant linear model of the longitudinal dynamics of an aircraft. This is achieved by proposing a fitness function based on the properties of the transition matrix and taking advantage of some of the capabilities of the genetic algorithm, mainly those of restricting the search ranges of the unknowns. In this case, such unknowns are related to the type of aircraft and flight conditions that are considered during the identification process. The proposed identification method is validated with a reliable nonlinear model that can be found in the literature, as well as with the calculation of the trim condition and linearization generally used in aircraft dynamics. In summary, this study suggests the genetic algorithm provided with the adequate fitness function, could be an appealing alternative for aircraft model identification, even when only a limited amount of data is available. Furthermore, in some cases, linearization using genetic algorithm can be more efficient than classical methods.

This study addressed algorithmic bias in predictive policing, focusing on the Chicago Police Department's Strategic Subject List (SSL) dataset. We specifically focused on identifying and mitigating age-related biases, a notably underexplored area in prior research. Our research introduced Conditional Score Recalibration as a bias mitigation strategy alongside the well-established Class Balancing technique. Conditional Score Recalibration involved reassessing and adjusting risk scores for individuals initially assigned moderately high-risk scores in the dataset. This recalibration marked such individuals as low risk if they met three conditions, namely: no prior arrests for violent offenses, no previous arrests for narcotic offenses, and having never been involved in shooting incidents. These fairness strategies were implemented on the Random Forest model, and the fairness metrics employed included Equality of Opportunity Difference, Average Odds Difference, and Demographic Parity. The results showed a significant improvement in model fairness, particularly for age biases, without compromising the model's accuracy. These findings challenged the often-assumed trade-off between fairness and accuracy, underscoring the feasibility of achieving fairness without compromising accuracy.

This Article demonstrates how an eigendecomposition problem is inputted into a quantum circuit, how gates are applied in the quantum circuit, and how the output measurements are the correct eigenvalues. This process is known as quantum phase estimation (QPE). A quantum harmonic oscillator example, a foundational quantum physical chemistry problem, is demonstrated within the context of QPE. A particle in a box example, another quantum physical chemistry problem, may be solved by QPE with a caveat. These examples are of the limiting cases of diagonal matrices. Future advances in taking matrix inverses for solving linear sets of equations or finding ground state energies in the Schrödinger equation will use the principles implemented in this Article.

Creating self-learning algorithms, developing deep neural networks and improving other methods that "learn" for various areas of human activity is the main goal of the theory of machine learning. It helps to replace the human with a machine, aiming to increase the quality of production. The theory of artificial neural networks, which already have replaced the humans in problems of detection of moving objects, recognition of images or sounds, time series prediction, big data analysis and numerical methods remains the most dispersed branch of the theory of machine learning. Certainly, for each area of human activity it is necessary to select appropriate neural network architectures, methods of data processing and some novel tools from applied mathematics. But the universal problem for all these neural networks with specific data is the achieving the highest accuracy in short time. Such problem can be resolved by increasing sizes of architectures and improving data preprocessing, where the accuracy rises with the training time. But there is a possibility to increase the accuracy without time growing, applying optimization methods. In this survey we demonstrate existing optimization algorithms of all types, which can be used in neural networks. There are presented modifications of basic optimization algorithms, such as stochastic gradient descent, adaptive moment estimation, Newton and quasi-Newton optimization methods. But the most recent optimization algorithms are related to information geometry, for Fisher-Rao and Bregman metrics. This approach in optimization extended the theory of classic neural networks to quantum and complex-valued neural networks, due to geometric and probabilistic tools. There are provided applications of all introduced optimization algorithms, what delighted many kinds of neural networks, which can be improved by including any advanced approaches in minimization of the loss function. Afterwards, we demonstrated ways of developing optimization algorithms in further researches, engaging neural networks with progressive architectures. Classical gradient based optimizers can be replaced by fractional order, bilevel and, even, gradient free optimization methods. There is a possibility to add such analogues in graph, spiking, complex-valued, quantum and wavelet neural networks. Besides the usual problems of image recognition, time series prediction, object detection, there are many are other tasks for modern theory of machine learning, such as solving problem of quantum computations, partial differential and integro-differential equations, stochastic processes and Brownian motion, making decisions and computer algebra.

Renewable Energy Communities (RECs) are emerging as an effective concept and model to empower the active participation of citizens on the energy transition, not only as energy consumers, but also as promoters of environmentally friendly energy generation solutions. This paper aims to contribute to the management and optimization of individual and community Distributed Energy Resources (DER). The solution follows a price and source-based REC management program, in which consumers day-ahead flexible loads (Flex Offers) are shifted according to electricity generation availability, prices and personal preferences, to balance the grid and incentivize user participation. The heuristic approach used in the proposed algorithms allows the optimization of energy resources in a distributed edge and fog approach with a low computational overhead. The simulations performed using real world energy consumption and flexibility data of a REC with 50 dwellings show an average cost reduction of 10.6% and an average increase of 11.4% in individual self-consumption. Additionally, the case-study demonstrates promising results regarding grid load balancing and the introduction of intra-community energy trading.

Metabolic pathways provide key information to achieve a better understanding of life and all its processes; this is useful information for the improvement of medicine, agronomy, pharmacy, and other similar areas. The main analysis tool used to study these pathways is based on the idea of pathway comparison, using graph data structures. Metabolic pathway comparison has been defined as a computationally complex task \cite{ay2011submap,abaka2013campways}. In previous work from 2017, two different approaches that simplify the problem of comparing pathways represented as graphs were introduced. The first algorithm consists of the transformation of a two-dimensional graph structure, representing a metabolic pathway, to a one-dimensional structure and thus aligning the corresponding data using a reduced 1 dimension string. The second algorithm consists of performing a paired analysis between reactions in pathways and thus eliminating all similarities, finally, showing these differences to the user. The suggestion is to use the information provided by these algorithms as a previous analysis to a deeper, more expensive, comparison tool use. Here we provide an extension of this work with more data and deeper analysis. These methods have shown to be an effective way to treat the problem of metabolic pathway comparison as listed in the discussion and results section. Our results show evidence of a quick, simple and effective way to resolve the described problem.

The main purpose of this paper is to propose a novel optimization model with a new machine learning approach in the first section to achieve the best results in financial institutions in the second section. Since the constancy of efficacy derived from parametric and non-parametric is not significant, this paper provides a scientific assessment at the optimization section and proposes a novel combined parametric and non-parametric model which will be a new experiment in literature perception. A scientific assessment of banks based on a combination of the efficiency measurement method of CCR(Charnes, Cooper and Rhodes model) or CRS(Constant Return to Scale) BCC(Banker, Charnes, and Cooper model) or VRS (Variable Return to Scale) in Data Envelopment Analysis (DEA), as well as Stochastic Frontier Approach (SFA) for 65 banks during Feb to July 2020, are introduced. For analyzing the performance of the parametric and non-parametric approaches we have considered the linear regression and Unreplicated Linear Functional Relationship (ULFR). At the machine learning section, a novel four-layers data mining filtering pre-processes for selected supervised classification as well as unsupervised clustering algorithms to increase the accuracy and to remove unrelated attributes and data are applied. For the four kinds of preprocessing approaches of unsupervised attributes, supervised attributes, supervised instances, and unsupervised instances, we have chosen discretization, attribute selection, stratified remove folds, and resample filters respectively. Based on the nature of the suggested financial institution's dataset and attributes, the most appropriate preprocessing filter in each layer to achieve the highest performance is suggested. Finally, the superior bank, best performance model, and the most accurate algorithm are introduced. The results indicate that the bank number 56 is the superior bank. Among the proposed techniques, the novel recommended CVS compared with CCR-BCC and SFA models, has a more positive correlation with profit risk, and show a higher coefficient of determination values. Sequential Minimal Optimization(SMO) algorithm receives the highest accuracy in all four suggested filtering layers.

Typical modern information systems are required to process copious data. Conventional manual approaches can no longer effectively analyze such massive amounts of data, and thus humans resort to smart techniques and tools to complement human effort. Currently, network security events occur frequently, and generate abundant log and alert files. Processing such vast quantities of data particularly requires smart techniques. This study reviewed several crucial developments of existent data mining algorithms, including those that compile alerts generated by heterogeneous IDSs into scenarios and employ various HMMs to detect complex network attacks. Moreover, sequential pattern mining algorithms were examined to develop multi-step intrusion detection. These studies can focus on applying these algorithms in practical settings to effectively reduce the occurrence of false alerts. This article researched the application of data mining algorithms in network security. The academic community has recently generated numerous studies on this topic.

Music acoustics is an interdisciplinary field and mathematics is the basis in the music art form. Music and mathematics correlation exist since the inception of music. Various philosophers, scientists, mathematicians and musicians have expressed their views about this relationship. This paper attempts to explore this association with focus on melodic pattern identification. Mathematics in Indian Classical music with raga as the basis and just intonation tuning system is discussed. Indian vocal music clips are used for different pitch estimation algorithms in the experimentation. Harmonic product spectrum and auto-correlation algorithms are tested for accurate pitch estimation. Enhanced auto-correlation function using audio segmentation is compared with other approaches for effective pitch extraction. Results indicate pitch extraction with enhanced auto-correlation function provides accurate results as compared with other approaches tested.

In this paper we develop a forecasting algorithm for recurrent patterns in consumer demand. We study this problem in two different settings: pull and push models. We discuss several features of the algorithm concerning sampling, periodic approximation, denoising and forecasting.

Intelligent Transportation Systems (ITS) encompasses technologies, services, and applications facilitating communication between vehicles (V2V) and between vehicles and fixed infrastructure (V2I and I2V). This mutual interaction constitutes a Vehicular Ad-Hoc Network (VANET) which supports a plethora of applications targeting critical transportation aspects, such as safety, mo-bility, and environmental considerations. Dedicated Short Range Communications (DSRC), op-erating on the 5.9 GHz band, is pivotal for such exchanges. We introduced an innovative algorithm designed to identify jamming attacks and transition the Safety Application to a secure fail-safe mode. This algorithm leverages a dual-metric strategy, incorporating both distance and PDR measurements. Field tests confirm that our algorithm adeptly recognizes the activities of deceptive jammers, ensuring a prompt shift of the safety application into its fail-safe state. This paper delves into these countermeasures, evaluating their efficiency via mathematical modelling, simulations, and on-ground testing. Findings acknowledge that these strategies bolster the reliability of safety applications in jamming scenarios. Furthermore, the approaches propounded align with ongoing standardization endeavours by relevant authorities, ensuring communication mediums remain unhindered.

We developed a novel hybrid approach for solving global optimization, computer science, bio-medical and engineering real life applications that is based on the coupling of the Whale Optimizer and Sine Cosine Algorithms via a surrogate model. We relate the whale optimizer algorithm to balance between the exploitation and the exploration process in the proposed method. There exist confirmed techniques for searching approximate best optimal solutions, but our algorithm will further guarantee that such numerical and statistical solutions satisfy physical bounds of the standard and real life functions. Our experiments with the benchmark, bio-medical, computer science and engineering real life problems have illustrated the advantages of using a newly hybrid approach based on mixing Whale Optimizer and Sine Cosine algorithms. It holds considerable potential for reducing execution time for solving standard and real life problems and at the same time improving the quality of the solution.

Machine learning plays a key role in present day crime detection, analysis and prediction. The goal of this work is to propose methods for predicting crimes classified into different categories of severity. We implemented visualization and analysis of crime data statistics in recent years in the city of Boston. We then carried out a comparative study between two supervised learning algorithms, which are decision tree and random forest based on the accuracy and processing time of the models to make predictions using geographical and temporal information provided by splitting the data into training and test sets. The result shows that random forest as expected gives a better result by 1.54% more accuracy in comparison to decision tree, although this comes at a cost of at least 4.37 times the time consumed in processing. The study opens doors to application of similar supervised methods in crime data analytics and other fields of data science

The need to increase the energy efficiency of buildings as well as the use of local renewable heat sources has caused that heat meters are used not only to calculate the consumed energy but also for the active management of central heating systems. Increasing the reading frequency and the use of measurement data to control the heating system expands the requirements for the reliability of heat meters. The aim of the research is to analyse a large set of meters in the real network and predict their faults to avoid inaccurate readings, incorrect billing, heating system disruption and unnecessary maintenance. The reliability analysis of heat metres, based on historical data collected over several years, shows some regularities which cannot be easily described by physics-based models. The failure rate is almost constant and does depend on the past but is a non-linear combination of state variables. To predict meters' failures in the next settlement period, three independent machine learning models are implemented and compared with selected metrics because even the high performance of a single model (87\% True Positive for Neural Network) may be insufficient to make a maintenance decision. Additionally, performing hyperparameters optimisation boosts models' performance by a few percent. Finally, three improved models are used to build an ensemble classifier which outperforms the individual models. The proposed procedure ensures the high efficiency of fault detection (>95\%), while maintaining overfitting at the minimum level. The methodology is universal and can be utilised to study the reliability and predict faults of other types of meters and different objects with the constant failure rate.

The flux of opinions in newsletters and social media platforms significantly influences market perceptions regarding corporate entities and their financial instruments. This paper introduces an advanced model, the Sentiment Dynamics Analyzer (SDA), which leverages a refined hierarchical architecture of Transformers to effectively discern the sentiment embedded within financial texts, ranging from news headlines to microblogs. We have enhanced a RoBERTa model with specialized sentiment lexicons and an augmented layer of Transformer models tailored for nuanced sentence-level sentiment detection, aiming to assign a sentiment score from -1 to +1. Our evaluations demonstrate that SDA not only surpasses the previous best methods but also exhibits superior performance over robust baseline models. This success underscores the utility of integrating tailored contextual analyses with sector-specific sentiment insights in improving predictive accuracy.

Pathological Brain Detection (PBD) is a crucial field aimed at identifying and diagnosing structural or functional abnormalities in the brain related to neurological, neurodegenerative, or psychiatric disorders. This detection process typically employs medical imaging technologies such as MRI, CT, or PET scans, along with neurological evaluations, blood tests, and other diagnostic tools. Early detection is essential for effective treatment, improving prognosis, and enhancing the quality of life for affected individuals. Each common computational method provides unique insights into brain pathologies. Despite significant advancements in technology and methodology, PBD faces challenges such as variability in brain anatomy, the complexity of disorders, data quality, standardization issues, interpretability of models, and ethical concerns. Addressing these challenges necessitates collaboration among researchers, clinicians, and policymakers to develop robust and ethical methods for improving the detection and diagnosis of brain disorders.

The paper deals with exploration of subsequences of polygonal numbers of different sides derived through step-by-step elimination of terms of the original sequences. Eliminations are based on special rules similarly to how the classic sieve of Eratosthenes was developed through the elimination of multiples of primes. These elementary number theory activities, appropriate for technology-enhanced secondary mathematics education courses, are supported by a spreadsheet, Wolfram Alpha, Maple, and the Online Encyclopedia of Integer Sequences. General formulas for subsequences of polygonal numbers referred to in the paper as polygonal number sieves of order k that include base-two exponential functions of k have been developed. Different problem-solving approaches to the derivation of such and other sieves based on the technology-immune/technology-enabled framework have been used. The accuracy of computations and mathematical reasoning is confirmed through the technique of computational triangulation enabled by using more than one digital tool. A few relevant excerpts from the history of mathematics are briefly featured.

As cancer remains resistant to several modes of treatment, novel therapeutics are still under active investigation to overcome treatment inefficacy in cancer. Given the high attrition rate of de novo drug discovery, drug screening, and drug repurposing have offered time- and cost-effective alternative strategies for the identification of potentially effective therapeutics. In contrast to large-scale drug screens, computational approaches for drug repurposing leverage the increasing amounts of biomedical data to predict candidate therapeutic agents prior to testing in biological models. Current studies in drug repurposing for cancer therapy prediction have increasingly focused on the prediction of combination therapies, as combination therapies have numerous advantages over monotherapies. These include increased effect from synergistic interactions, reduced toxicity from lowered drug doses, and a reduced risk of resistance due to multiple non-overlapping mechanisms of action. This review provides a summary of several classes of computational methods used for drug combination therapy prediction in cancer research, including networks, regression-based machine learning, classifier machine learning models, and deep learning approaches, with the goal of presenting current progress in the field, particularly to non-computational cancer biologists. We conclude by discussing the need for further advancements in technologies that incorporate disease mechanisms, drug characteristics, multi-omics data, and clinical considerations to generate effective patient-specific drug combinations, as holistic data integration will inevitably result in optimal targeted therapeutics for cancer.

Enzymes are in high demand for very diverse biotechnological applications. However, natural biocatalysts often need to be engineered for fine-tuning their properties towards the end applications, such as the activity, selectivity, stability to temperature or co-solvents, and solubility. Computational methods are increasingly used in this task, providing predictions that narrow down the space of possible mutations significantly and can enormously reduce the experimental burden. Many computational tools are available as web-based platforms, making them accessible to non-expert users. These platforms are typically user-friendly, contain walk-throughs, and do not require deep expertise and installations. Here we describe some of the most recent outstanding web-tools for enzyme engineering and formulate future perspectives in this field.

High-quality chromosome-scale haplotype sequences— of diploid genomes, polyploid genomes and metagenomes — provide important insights into genetic variation associated with disease and biodiversity. However, whole-genome short read sequencing does not yield haplotype information that spans whole chromosomes directly. Computational assembly of shorter haplotype fragments is required for haplotype reconstruction, which can be challenging owing to limited fragment lengths and high haplotype and repeat variability across genomes. Recent advancements in long-read and chromosome-scale sequencing technologies, alongside computational innovations, are improving the reconstruction of haplotypes at the level of whole chromosomes. Here, we review recent methodological progress in these areas and discuss perspectives that could enable routine high-quality haplotype reconstruction in clinical and evolutionary studies.

Electricity demand forecasting has been a real challenge for power system scheduling in the different levels of the energy sectors. Various computational intelligence techniques and methodologies have been employed in the electricity market for load forecasting; although, scant evidence is available about the feasibility of each of these methods considering the type of data and other potential factors. This work introduces several scientific, technical rationale behind intelligent forecasting methods, based on the work of previous researchers in the field of energy. The fundamental benefits and main drawbacks of the aforementioned methods are discussed in order to depict the efficiency of each approach in various situations. In the end, a proposed hybrid strategy is represented.

Electricity demand forecasting has been a real challenge for power system scheduling in the different levels of the energy sectors. Various computational intelligence techniques and methodologies have been employed in the electricity market for load forecasting; although, scant evidence is available about the feasibility of each of these methods considering the type of data and other potential factors. This work introduces several scientific, technical rationale behind intelligent forecasting methods, based on the work of previous researchers in the field of energy. The fundamental benefits and main drawbacks of the aforementioned methods are discussed in order to depict the efficiency of each approach in various situations. In the end, a proposed hybrid strategy is represented.

The topological index is a numerical quantity based on the characteristics of various invariants or molecular graph. For ease of discussion, these indices are classified according to their logical derivation from topological invariants rather than their temporal development. Degree based topological indices depends upon the degree of vertices. This paper computes Zagreb polynomials and redefined first, second and third Zagrebindices of Bismuth Tri-Iodide chains and sheets.

This work deals with the numerical investigation of the delivery of potential therapeutic agents through dentinal discs (i.e. a cylindrical segment of the dentinal tissue) towards the dentin-pulp junction. The aim is to assess the main key features (i.e. molecular size, initial concentration, consumption rate, disc porosity and thickness) that affect the delivery of therapeutic substances to the dental pulp and consequently to define the necessary quantitative and qualitative issues related to a specific agent before its potential application in clinical practice. The CFD code used for the computational study is validated with relevant experimental data obtained using micro Laser Induced Fluorescence (μ-LIF) a non-intrusive optical measuring technique. As the phenomenon is diffusion dominated and strongly dependent on the molecular size, the time needed for the concentration of released molecules to attain a required value can be controlled by their initial concentration. Finally, a model is proposed which, given the maximum acceptable time for the drug concentration to attain a required value at the pulpal side of the tissue along with the aforementioned key design parameters, is able to estimate the initial concentration to be imposed and vice versa.

Groundwater represents a pivotal asset in conserving natural water reservoirs for potable consumption, irrigation, and diverse industrial uses. Nevertheless, human activities intertwined with industry and agriculture contribute significantly to groundwater contamination, highlighting the critical necessity to appraise water quality for safe drinking and effective irrigation. This research primarily focused on employing the Water Quality Index (WQI) to gauge water's appropriateness for these purposes. However, the generation of an accurate WQI can prove time-intensive owing to potential errors in sub-index calculations. In response to this challenge, an artificial intelligence (AI) forecasting model was devised, aiming to streamline the process while mitigating errors. The study collected 422 data samples from Mirpurkash, a city nestled in the province of Sindh, for a comprehensive exploration of the region's WQI attributes. Furthermore, the study probed into unraveling the interdependencies amidst variables in the physiochemical analysis of water. Diverse machine learning classifiers were employed for WQI prediction, with findings revealing that random forest and gradient boosting eclipsed other algorithms, achieving an accuracy rate of 99%. In close pursuit were SVM and XGBoost, registering accuracy scores of approximately 95% and 93%, respectively, while KNN and Decision Trees garnered accuracy rates of 88% and 87%, respectively. In addition to WQI prediction, the study conducted an uncertainty analysis of the models using the R-factor, providing insights into the reliability and consistency of predictions. This dual approach, combining accurate WQI prediction with uncertainty assessment, contributes to a more comprehensive understanding of water quality in Mirpurkash and enhances the reliability of decision-making processes related to groundwater utilization

The soil-structure interaction represents an important parameter when analyzing the dynamic behavior of bridges, taking into account the integration between soil, foundation, and structure to ensure an adequate structural representation. In this paper, a computational modeling strategy using soil-structure interaction (SSI) methodology was applied to represent the dynamic behavior of a pedestrian bridge (LOP). The computational models were validated using monitoring results from an extensive structural health monitoring campaign. The bridge monitoring program was characterized using embedded sensors and cutting-edge technology for remote monitoring: ground-based radar interferometry and video motion amplification. The instrumentation results were compared to establish the capabilities and advantages of this novel remote monitoring technique. The experimental results obtained from free and forced vibrations in the asset served as a basis for validating the developed computational model and allowed evaluating the asset be-havior in service for different loading conditions. This paper emphasizes the SSI approach to represent the pedestrian bridge dynamic behavior more accurately, allowing computational models to represent the LOP structural responses over the course of its life-cycle.

This research will examine the computational methods to calculate the nonlinear optical process of second harmonic generation (SHG) that will be hypothesized to be present during lithium ion insertion into silicon nanowires. First it will be determined whether the medium in which SHG is conveyed is non-centrosymmetric or whether the medium is inversion symmetric where SHG as a part of the second-order nonlinear optical phenomenon does not exist. It will be demonstrated that the main interaction that determines SHG is multiphoton absorption on lithium ions. The quantum harmonic oscillator (QHO) is used as the background that generates coherent states for electrons and photons that transverse the length of the silicon nanowire. The matrix elements of the Hamiltonian which represents the energy of the system will be used to calculate the probability density of second-order nonlinear optical interactions which includes collectively SHG, sum-frequency generation (SFG) and difference-frequency generation (DFG). As a result it will be seen that at varies concentrations of lithium ions (Li+) within the crystallized silicon (c-Si) matrix the second-order nonlinear optical process has probabilities substantial enough to create second harmonic generation that could possibly be used for such applications as second harmonic imaging microscopy.

The microbiome, by virtue of its interactions with the host, is implicated in various host functions including its influence on inflammation, nutrition, and homeostasis. Although driven by a complex combination of intrinsic and extrinsic factors, many chronic diseases such as diabetes, cancer, Inflammatory Bowel Disease among others are characterized by a disruption of microbial communities in at least one biological niche/organ system. Various molecular mechanisms between microbial and host components such as proteins, RNAs, metabolites etc have recently been elucidated, thus filling many gaps in our understanding of how the microbiome modulates host processes. Concurrently, high throughput technologies have enabled the profiling of heterogeneous datasets capturing community level changes in the microbiome as well as the host responses. However, due to pragmatic limitations with respect to parallel sampling and analytical procedures, big gaps still exist in terms of how the microbiome mechanistically influences host functions at a systems and community level. In the past decade, various computational biology and machine learning methodologies and approaches have been developed with an aim to fill these existing gaps. Due to the agnostic nature of the tools, they have been applied in various disease contexts to analyze and infer the interactions between the microbiome and host molecular components, and in the case of a few selected tools, on downstream host processes. Generally, most of the tools are enabled by frameworks to statistically or mechanistically integrate different types of -omic and meta -omic datasets followed by functional/biological interpretation. In this review, we provide an overview of the landscape of computational approaches for investigating mechanistic microbiome-host interactions and their potential benefit for basic and clinical research. These could include but are not limited to the development of activity and mechanism based biomarkers, uncovering mechanisms for therapeutic interventions and generating integrated signatures to stratify patients.

A new series of 1,3,4-oxadiazoles derivatives was synthesized, characterized and evaluated for their in vitro and in vivo anti-thrombotic activity. Compounds (3a-3i) exhibited significant clot lysis with respect to negative control and reference drug streptokinase (30,000 IU) while enhanced clotting time (CT) values were observed (130-342 sec) for these tested compounds than the standard drug heparin (110 sec.). High affinity towards 1NFY with greater docking score was observed for the compounds (3a, 3i, 3e, 3d and 3h) than the control ligand RPR200095. In addition, very good inhibitory potential against factor Xa (F-Xa) was observed with higher docking scores (5612-6270) with ACE values (–189.68 to –352.28 kcal/mol) than the control ligand RPR200095 (Docking score 5192; ACE –197.81 kcal/mol. In vitro, in vivo and in silico results proposed that these newly synthesized compounds can be used as anti-coagulant agents.

Many of engineering’s problems are about to optimise equations, functions and process models equations which appear on common or even complex science’s cases. Most applied optimisation methods nowadays can only be used on particular cases, so the main objective of this article is to define a computational method that can optimise or even find target values for specified objective functions and variables, by just using computer effort. Chemical plants involve many differential equations and they can be optimised with more facility now. On this paper, there are shown as example, an optimisation for a chemical reactor, which is found the optimal temperature and volumetric flow rate of feed, for the given objective function being the composition of the desired product. Named Domain’s Sweep, it is an algorithm that evaluate given(s) mathematical function(s) and/or equation(s) by varying your(s) independent variable(s) through loops with a given step size and solving it after closing the degrees of freedom, and finally, with some condition statements, store all the optimum values of given or created objective functions with its respective independent variables. In another words, the user create an objective function and this method find the function’s maximum, minimum or a certain chosen target value, even if it does not have an inflection point in the given search interval of the independent variables.

Optimization using Genetic Algorithms (GA) is a well-known strategy in several scientific disciplines. The crossover is an essential operator of the Genetic Algorithm. It has been an active area of research to develop sustainable forms for this operand. In this work, a new crossover operand is proposed. This operand depends on giving an elicited description for the chromosome with a new structure for alleles of the parents. It is suggested that each allele has two attitudes, one attitude differs contrastingly with the other, and both of them complement the allele. Thus, in case of one attitude is good, the other should be bad. This is suitable for many systems which contain admired parameters and unadmired parameters. The proposed crossover would improve the desired attitudes and damp the undesired attitudes. The proposed crossover can be achieved in two stages: the first stage is a mating method for both attitudes in one parent to improving one attitude at the expense of the other. The second stage comes after the first improvement stage for mating between different parents. Hence, two concurrent steps for improvement would be applied. Simulation experiments for the system shows improvement in the fitness function. The proposed crossover could be helpful in different fields, especially to optimize routing algorithms and network protocols, an application that has been tested as a case study in this work.

Digital Elevation Model (DEM) is a representation of elevation data that represent terrain with or without overlaying objects of the Earth. It is the ideal and most widely used method for determining topography. DEMs are generated from various techniques such as traditional Surveying, Photogrammetry, InSAR, LiDAR, Clinometry and radargrammetry. It has been observed that mostly LiDAR-generated DEMs provide the best accuracy. The unavailability of LiDAR data in most of the region restricts global researchers from high-resolution and accurate DEMs. The recent launch of ICESat-2 with a 13m beam footprint and 0.7m pulse interval, promises elevations at high orbital precision. Its accuracy is of the order of few centimeters in complex topography, because of this ICESat-2 proves to be a good source to generate high-accuracy DEMs. ICESat-2 provides discrete photon data with elevations of points on the Earth’s surface. Traditional interpolation techniques tend to over-smooth the estimated space and still are unable to justify the complicated continuity in the topographical data. Machine learning algorithms are widely being used to extract patterns and spatial extent in geographic data. To estimate a DEM from ICESat-2 LiDAR point data, machine learning regression algorithms are implemented in this study. The present study has been performed for a plain region of Ghaziabad, Uttar Pradesh, India. Studies have shown that Cartosat-1 DEM V3 R1 product provides an accuracy of the order of 2m in predominantly plain regions, hence taken for this region. Current work focuses on comparing various regression-based machine-learning techniques to interpolate DEM from ICESat-2 data The RMSE of the interpolated DEM resulted from the Gradient Boosting Regressor, Random Forest Regressor, Decision Tree Regressor, and Multi-Layer Perceptron Regressor was 7.13m, 7.01m, 7.15m, and 3.76m, respectively when evaluated against the TANDEM-X DEM of the same region. The MLP Regressor is found to perform the best among the four algorithms tested.

Machine learning research has been able to solve problems in multiple aspects. An open area of research is machine learning for solving optimisation problems. An optimisation problem can be solved using a metaheuristic algorithm, which is able to find a solution in a reasonable amount of time. However, there is a problem, the time required to find an appropriate metaheuristic algorithm, that would have the convenient configurations to solve a set of optimisation problems properly. A solution approach is shown here, using a proposal that automatically creates metaheuristic algorithms aided by a reinforced learning approach. Based on the experiments performed, the approach succeeded in creating a metaheuristic algorithm that managed to solve a large number of different continuous domain optimisation problems. This work's implications are immediate because they describe a basis for the generation of metaheuristic algorithms in real-time.

In daily travel and activities, pathfinding is a significant process. They are often used in transportation routes calculation. They have now evolved to be able to solve most situations of the pathfinding and its related problems. This review describes previous and recent studies on the pathfinding algorithms. It reviews the development of pathfinding algorithms in a classification base on their usage. The aim is to summarize the application of the pathfinding algorithms for the readers interested in the subject that can be used as a supplement.

A growing area in neurosciences is focused on the modeling and analysis the complex system of connections in neural systems, i.e. the connectome. Here we focus on the representation of connectomes by using graph theory formalisms. The human brain connectomes are usually derived from neuroimages; the analyzed brains are co-registered in the image domain and brought to a common anatomical space. An atlas is then applied in order to define anatomically meaningful regions that will serve as the nodes of the network - this process is referred to as parcellation. Recently, it has been proposed to perform atlas-free random brain parcellation into nodes and align brains in the network space instead of the anatomical image space to define network nodes of individual brain networks. In the network domain, the question of comparison of the structure of networks arises. Such question is tackled by modeling the comparison of brain network as a network alignment (NA) problem. In this paper, we first defined the NA problem formally, then we applied three existing state of the art of multiple alignment algorithms (MNA) on diffusion MRI-derived brain networks and we compared the performances. The results confirm that MNA algorithms may be applied in cases of atlas-free parcellation for a fully network-driven comparison of connectomes.

Human Pose Estimation (HPE) is a technique in computer vision and AI for detecting and tracking human body parts and poses from images or videos. Widely used in augmented reality, animation, fitness applications, and surveillance, HPE methods using monocular cameras are highly versatile due to their applicability in standard video and CCTV footage. These methods have evolved from 2D to 3D pose estimation. However, current 3D HPE methods trained on laboratory-based motion capture data encounter challenges such as limited training data, depth perception ambiguity, left/right switching, and issues with occlusions when applied in real-world environments. This study compares two representative 3D HPE methods by assessing their strengths and weaknesses with real-world videos. Then, we propose data processing techniques to eliminate and correct anomalies like left/right inversion and false detections of joint positions in daily life motions. Finally, we obtain joint angle trajectories using an optimization method based on a 3D humanoid simulator, taking as input the joint coordinate data corrected by applying the proposed human joint data processing technique. The efficacy of the proposed 3D HPE method is verified by applying it to three-dimensional freehand gymnastics exercises and comparing the joint angle trajectories during the motion.

This paper deals with a method of calculating the self and mutual inductances of various air coils located arbitrarily in space. Known elementary solutions (the Biot-Savart formulas) were used to determine the magnetic field of infinitely thin current loops and infinitely thin wires of finite length linking magnetically other coils. Unlike commonly used algorithms, these elementary solutions were not extensively transformed analytically but were used to perform calculations by direct numerical integration. This enabled very quick and accurate obtaining of the self-inductance values as well as determining the dependence of mutual inductances on the position of both coils. This method allows analysis of different coil configurations (misaligned coils, inclined to each other, etc.) that other methods do not cover. It also enables the determination of the forces acting on the coils, as well as the calculation of the magnetic field distribution from any coil configuration. The obtained results were compared with those presented by other authors.

Predicting nurse turnover is a growing challenge within the healthcare sector, profoundly impacting healthcare quality and the nursing profession. This study employs the Synthetic Minority Over-sampling Technique (SMOTE) to address class imbalance issues in the 2018 National Sample Survey of Registered Nurses (NSSRN) dataset and predict nurse turnover using machine learning (ML) algorithms. Four ML algorithms, namely logistic regression (LR), random forests (RF), decision tree (DT), and extreme gradient boosting (XGBoost), are applied to the SMOTE-enhanced dataset. The data is randomly split into an 80% training set and a 20% validation set. Eighteen carefully selected variables from the NSSRN database serve as predictive features, and the machine learning model identifies feature importance concerning nurse turnover. The study includes a performance comparison based on metrics such as Accuracy, Precision, Recall (Sensitivity), F1-score, and AUC. In summary, the results demonstrate that SMOTE-enhanced random forests (SMOTE_RT) exhibit the most robust predictive power, both in the classical approach (with all 18 predictive variables) and an optimized approach (utilizing eight key predictive variables). XGBoost, decision tree, and logistic regression follow in performance. Notably, age emerges as the most influential factor in nurse turnover, with working hours, EHR/EMR usability, individual income, and region also playing significant roles. This research offers valuable insights for healthcare researchers and stakeholders, aiding in selecting suitable ML algorithms for nurse turnover prediction.

Probabilistic latent semantic analysis is a statistical technique developed for information retrieval and spanned many fields. It yields intuitive and solid results. However, the rigidity of the assumptions and the iterative nature derived from the Expectation-maximization algorithm generate several problems, dividing detractors and enthusiasts. In this manuscript, we first describe the Probabilistic latent semantic analysis. After, we discuss reformulations that attempt to solve these problems. We pay special attention to the works relating Probabilistic latent semantic analysis and the Singular value decomposition Theorem. Also, Probabilistic latent semantic analysis can be the basis for other techniques, such as kernelization or probabilistic transfer learning, and those that extend the descriptive character of the Principal component analysis to an inferential tool and open a window of opportunities.

Blockchain technology has gotten much interest recently from academics, industry, and governments worldwide. It is regarded as a technical innovation that can disrupt various application fields affecting many aspects of our lives. Cryptocurrencies are a public blockchain application's success story that sparked extensive research and development. Scalability, energy consumption, and security, on the other hand, remain significant challenges. With low throughput, high transaction delay, and high energy consumption, most cryptocurrencies are experiencing low-efficiency difficulties. The scalability issue with public Blockchains is preventing organizations and sectors from receiving effective solutions. As a result, it is critical to bridge the gap and develop new frameworks that connect Blockchain with those goals. This paper examines the evolution of blockchain architecture and consensus protocols, provides a retrospective analysis, discusses the rationale for the various architectures and protocols' change, and captures the assumptions supporting their development and contributions to collaborative application development. However, existing research on consensus algorithms is insufficient. The features of the algorithms are discussed insufficiently in those papers, and some prominent blockchain consensus methods are not examined in terms of their scopes. The study’s findings are delivered in tabular formats, allowing for a clear representation of these algorithms. We discovered in our investigation that scalability is a result of many parameters such; transaction throughput, number of nodes, storage, block size, high communication, latency, cost. Furthermore, Due to its off-chain data storage and smaller block size, PoF is much more scalable than PoS and PoW, and Because PoA is a hybrid of PoW and PoC, it does not necessitate a large number of computational resources. As a result, it has a higher throughput than PoW. PoPF entails ranking all participating nodes and appointing n accountants to compete for adding new blocks. This article addresses the need by analyzing a wide range of consensus algorithms using a complete taxonomy of attributes and delving into the consequences of several still-present flaws in consensus algorithms.

Advancing models for accurate estimation of food production is essential for policymaking and managing national plans of action for food security. This research proposes two machine learning models for the prediction of food production. The adaptive network-based fuzzy inference system (ANFIS) and multilayer perceptron (MLP) methods are used to advance the prediction models. In the present study, two variables of livestock production and agricultural production were considered as the source of food production. Three variables were used to evaluate livestock production, namely livestock yield, live animals, and animal slaughtered, and two variables were used to assess agricultural production, namely agricultural production yields and losses. Iran was selected as the case study of the current study. Therefore, time-series data related to livestock and agricultural productions in Iran from 1961 to 2017 have been collected from the FAOSTAT database. First, 70% of this data was used to train ANFIS and MLP, and the remaining 30% of the data was used to test the models. The results disclosed that the ANFIS model with Generalized bell-shaped (Gbell) built-in membership functions has the lowest error level in predicting food production. The findings of this study provide a suitable tool for policymakers who can use this model and predict the future of food production to provide a proper plan for the future of food security and food supply for the next generations.

Nowadays, many political campaigns are using social influence (SI) in order to convince voters to support/oppose a specific candidate/party. In election control via SI problem, an attacker tries to find a set of limited influencers to start disseminating a political message in a social network of voters. A voter will change his opinion when he receives and accepts the message. In constructive case, the goal is to maximize the number of votes/winners of a target candidate/party, while in destructive case, the attacker tries to minimize them. Recent works considered the problem in different models and presented some hardness and approximation results. In this work, we consider multi-winner election control through SI on different graph structures and diffusion models, and our goal is to maximize/minimize the number of winners in our target party. We show that the problem is hard to approximate when voters' connections form a graph, and the diffusion model is the linear threshold model. We also prove the same result considering an arborescence under independent cascade model. Moreover, we present a dynamic programming algorithm for the cases that the voting system is a variation of straight-party voting, and voters form a tree.

Non-linear loads in circuits cause the appearance of harmonic disturbances both in voltage and current. In order to minimize the effects of these disturbances and, therefore, to control over the flow of electricity between the source and the load, they are often used passive or active filters. Nevertheless, determining the type of filter and the characteristics of their elements is not a trivial task. In fact, the development of algorithms for calculating the parameters of filters is still an open question. This paper analyzes the use of genetic algorithms to maximize the power factor compensation in non-sinusoidal circuits using passive filters, while concepts of geometric algebra theory are used to represent the flow of power in the circuits. According to the results obtained in different case studies, it can be concluded that the genetic algorithm obtain high quality solutions that could be generalized to similar problems of any dimension.

This article encapsulates an exploration of seizure dynamics through the lens of computational modeling in epilepsy. Starting with a foundational understanding of the FitzHugh-Nagumo model, asimplified representation of neuronal activity, we try to understand the intricacies of epileptic seizures. We methodically demonstrated the transition from normal neuronal activity to a seizure-like state by altering key parameters in the model, such as external current and coupling strength. This was followed by an extension of the model to a network of neurons, simulating the complex interactions and synchronization patterns indicative of seizure propagation. Numerical simulations were conducted to visualize the impact of varying coupling strengths on network dynamics, offering insights into the mechanisms of seizure initiation and spread. The study was complemented by a discussion on the implications of these findings for understanding epilepsy, highlighting the bridging of theoretical models with clinical understanding. Our approach not only illuminates the potential of computational models in epilepsy research but also underscores the significance of interdisciplinary collaboration in advancing our comprehension of neurological disorders. Through this article, we aim to provide a nuanced perspective on the modeling of epileptic seizures, offering a valuable resource for researchers and clinicians in the field.

The current theories of consciousness do not address the two major problems:What is the solution to the hard problem of consciousness or What is the experience of self-existence? and How is conscious perception computed? We address these questions using our hypothesized theory:The Self Simulation theory and propose a model of computation of consciousness.The components of the model are an interconnected network of auxiliary processors or Auxiliary Neural Networks(AN) which receives input from the external sensory modalities,computes a representation of the information and relays it to the NCC(Neural Correlates of Consciousness), the NCC – a processing unit which can be neuro anatomically distributed in location but computationally connected to each other and to the Auxiliary Networks,and a working memory which the NCC references for further computation of information.Computation of conscious perception is achieved via the decoding of the content of the memory by the NCC.The self simulation theory accounts not only for the various phenomenal experiences but also experimentation paradigms conducted in the past.

COVID-19 has been extremely difficult to control. The lack of understanding of key aspects of pandemics has affected virus transmission. On the other hand, there is a demand to incorporate Computational Thinking (CT) in the curricula with applications in STEM. However, there are still no exemplars in the curriculum that apply CT to real-world problems such as controlling a pandemic or other similar global crises. In this paper, we fill this gap by proposing exemplars of CT for modeling the pandemic. We designed exemplars following the three pillars of the APEC InMside framework for CT: algorithmic thinking, computational modeling, and machine learning. For each pillar, we designed a progressive sequence of activities that covers from elementary to high school. In an experimental study with elementary and middle school students from 2 schools of high vulnerability, we found that the computational modeling exemplar can be implemented by teachers and correctly understood by students. We conclude that it is feasible to introduce the exemplars at all grade levels, and that this is a powerful example of STEM integration that helps reflect and tackle real-world and challenging public health problems of great impact for students and their families.

Heart attacks and strokes are one of the leading causes of death in the world today, and heart attacks caused by clogged arteries that carry blood to the heart muscle are a significant part of these strokes. These are caused by the accumulation of fat particles in the walls of the arteries and the reduction of blood flow through it over a long process. The process of fat penetration in the underlying layers of the Artery wall has been the focus of many researchers, and various researches and Simulations have been done on it, in each of them, the effect of specific parameters has been considered. In the present study, the effect of blood flow rate on the flow pattern in a bifurcate artery with two ducts has been investigated using FLUENT software with Computation fluid dynamic Method. The effect of the angle between the two ducts of the Artery on the flow pattern has been investigated.

Wolfenden and his coworkers observed the astronomical numbers for the catalytic proficiency of some enzymes. We connected that pinnacle of biological evolution to the universal thermodynamic evolution. We added or multiplied a random noise with chosen rate constants to explore the correlation between dissipation and enzyme efficiency for ten enzymes: beta-galactosidase, glucose isomerase, β-lactamases from three bacterial strains, ketosteroid isomerase, triosephosphate isomerase, and carbonic anhydrase I, II, and T200H. The turnover number kcat and catalytic efficiency kcat/KM are proportional to the overall entropy production – the main parameter from irreversible thermodynamics. For most enzymes with the Michaelis-Menten type cycle kinetics, the best increase in the forward kcat/KM follows after increasing the equilibrium constant of substrate-enzyme association. The Discussion section emphasizes the role of biological evolution in harvesting order (high enzyme efficiency) from disorder (high noise and dissipation). It also connects the applications of the maximum partial entropy production theorem in optimizing enzyme kinetics (D. Juretić "Bioenergetics - A Bridge across Life and Universe") with the present total entropy production role analysis. De novo enzyme design and various attempts to speed up the rate-limiting catalytic steps may profit from our theoretical insights.

This study has developed a Matlab application for simulating statistical models project (SMp) probabilistic distributions that are similar to binomial and Poisson, which were created by mathematical procedures. The simulated distributions are graphically compared with these popular distributions. The application allows to obtain many probabilistic distributions, and shows the trend (τ ) for n trials with success probability p, i.e. the maximum probability as τ=np. While the Poisson distribution PD(x;µ) is a unique probabilistic distribution, where PD=0 in x=+∞, the application simulates many SMp(x;µ,Xmax) distributions, where µ is the Poisson parameter and value of x with generally the maximum probability, and Xmax is the upper limit of x with SMp(x;µ,Xmax) ≥ 0 and limit of the stochastic region of a random discrete variable. It is shown that by simulation via, one can get many and better probabilistic distributions than by mathematical one.

This study has developed a Matlab application for simulating statistical models project (SMp) probabilistic distributions that are similar to binomial and Poisson, which were created by mathematical procedures. The simulated distributions are graphically compared with these legendary distributions. The application allows to obtain many probabilistic distributions, and shows the trend (τ ) for n trials with success probability p, i.e. the maximum probability as τ=np. While the Poisson distribution PD(x;µ) is a unique probabilistic distribution, where PD=0 in x=+∞, the application simulates many SMp(x;µ,Xmax) distributions, where µ is the Poisson parameter and value of x with generally the maximum probability, and Xmax is upper limit of x with SMp(x;µ,Xmax) ≥ 0 and limit of the stochastic region of the random discrete variable X. It is shown that by simulation via, one can get many and better probabilistic distributions than by mathematical one.

The goal of this paper is to propose a dual version of the direct cosine simplex algorithm (DDCA) for general linear problems. Unlike the two-phase and the big-M methods, our technique does not involve artificial variables. Our technique solves the dual Klee-Minty problem in two iterations and solves the dual Clausen’s problem in four iterations. The utility of the proposed method is evident from the extensive computational results on test problems adapted from NETLIB. Preliminary results indicate that this dual direct cosine simplex algorithm (DDCA) reduces the number of iterations of two-phase method.

This study aims to determine the optimal configuration (position and operation duration) for wall mounted mechanical mixers based on the comparison of three-dimensional computational fluid dynamics (CFD) modelling results and physical data collected from the treatment plant. A three-dimensional model of anoxic zone 1, 2 and 3 of Northern Wastewater Treatment Plant (WWTP) located at Cairns Regional Council, Cairns, Queensland, Australia was developed and validated. The model was used to simulate the flow pattern of the WWTP and the simulation results are in good agreement with the physical data varying between 0% to 15% in key locations. The anoxic zones were subject to velocities less than the desired 0.3 metres per second however results for suspended solids concentration indicate that good mixing is being achieved. Results for suspended solids concentrations suggest that the anoxic zones are towards the upper limits recommended by literature for specific power dissipation. The duration for operation of mechanical mixers was investigated and identified that the duration could be reduced from 900 seconds down to 150 seconds. Alternative mixer positioning was also investigated and identified positioning which would increase the average flow velocity with decreased duration (150 seconds). The study identified that Council may achieve savings of $24,000 per year through optimisation of the mechanical mixers.

Regulation at the level of translation plays an essential role in modulating gene expression. Given the importance of knowledge about translationally active mRNAs as an indicator of translation efficiency, it is crucial for researchers to have at their disposal organised sources of functional information on translation - plant translatomic maps similar to transcription maps. The development of a general experimental and computational methodology for constructing translatome maps is essential to address this challenge. In this manuscript, we discuss what researchers can do to design plant translatome maps, namely, we review: (i) experimental methods to obtain translationally active mRNA fractions, considering their advantages and limitations; (ii) additional methodological approaches to obtain complete pools of translationally active mRNAs; (iii) sequencing methods to qualitatively and quantitatively assess different mRNA fractions; and (iv) multivariate analyses of sequencing results by bioinformatics methods, including metrics for assessing mRNA translational activity.

Curcuma longa is only a rich source of curcumin (1) and its major analogues demethoxycurcumin (2) and bisdemethoxycurcumin (3) among the Curcuma species. The content ratio of these three curcumins in turmeric is depended on the varieties and growing environment. Recently, curcumin (1) has been reported as potential inhibitor of hepatic and enzymatic protein tyrosine phosphatase 1B (PTP1B) and its related disorders such as hypertriglyceridemia, hyperlipidemia and liver steatosis. Thus, we further purified curcumins (1–3) from C. longa and investigated their inhibitory effects against PTP1B and α-glucosidase enzymes. As the result, curcumins (1–3) exhibited potential PTP1B inhibition with IC50 values of 37.8 ± 1.4, 45.3 ± 0.7, and 72.6 ± 1.1 μM, respectively, and α-glucosidase inhibition with similar manner (IC50 values of 78.2 ± 0.2, 82.4 ± 0.6, and 90.6 ± 1.0 μM, respectively). These results reveal a key role of methoxylation in the variation of PTP1B and α-glucosidase inhibitory activity for these curcumins. In addition, density functional theory (DFT) was used accompanying with molecular docking (MD) to analyze the ligand stability and the interaction of curcumins (1–3) with PTP1B and glucoside hydrolase proteins. Assay-based results and the MD data obtained are highly correlation suggesting that the deterioration of the enzyme activity caused by the distortion of structural conformation of PTP1B and glucoside hydrolase may be related to the arrangement of amino acids in protein structure. This reported for the first time that inhibitory effects of curcumins (1–3) against PTP1B and glucoside hydrolase have been examined in vitro and in silico as well.

Finding the roots of an equation is a fundamental problem in diverse fields. Optimization problem leads to non-linear equations for calculating the roots of the equation efficiently. Numerical iterative techniques are frequently applied when analytic solution is not available. Hybrid techniques to find roots of an equation is new to this fundamental problem. Recently, some attempts emerged to design hybrid algorithms for efficient solutions. A new heuristic algorithm is designed which is an intuitive approach to hybridization. In this paper, we implement two new algorithms: (1) a new BTsection algorithm blending the Bisection and Trisection algorithm, (2) a hybrid algorithm, that promises to be more efficient than the existing hybrid algorithms. The new hybrid algorithm is a blend of BTsection algorithm and Regula Falsi algorithm. The implementation results validate that the new algorithm, Hybrid4, surpasses the efficiency of existing hybrid algorithms Hybrid1, Hybrid2, and Hybrid3 algorithms. This paper contributes an essential hybrid algorithm to the repertoire of hybrid root finding algorithms.

Recently, Artificial Intelligence (AI)-based algorithms have revolutionized the medical image segmentation processes. Thus, the precise segmentation of organs and their lesions may contribute to an efficient diagnostics process and a more effective selection of targeted therapies as well as increasing the effectiveness of the training process. Thus, AI may contribute to the automatization of the image scan segmentation process and increase the quality of the resulting 3D objects, which may lead to the generation of more realistic virtual objects. In this paper, we focus on the AI-based solutions applied in the medical image scan segmentation, and intelligent visual-content generation, i.e. computer-generated three-dimensional (3D) images in the context of Extended Reality (XR). We consider different types of neural networks used with a special emphasis on the learning rules applied, taking into account algorithm accuracy and performance, as well as open data availability. This paper also attempts to summarize the current development of AI-based segmentation methods in medical imaging and intelligent visual content generation that are applied in XR. Finally, this paper concludes with possible developments and open challenges in AI application in Extended Reality-based solutions. Finally, the future lines of research and development directions of Artificial Intelligence applications both in medical image segmentation and Extended reality-based medical solutions are discussed.

Plasma technology shows tremendous potential for revolutionizing oncology research and treatment. Reactive oxygen and nitrogen species, electromagnetic emissions generated through gas plasma jets, have attracted significant attention due to their selective cytotoxicity towards cancer cells. To leverage the full potential of plasma medicine, researchers have explored the use of mathematical models and various subsets of machine learning, such as reinforcement learning, and deep learning. This review emphasizes the significant application of AI algorithms in the adaptive plasma system, paving the way for precision and dynamic cancer treatment. Realizing the full potential of AI in plasma medicine, requires research efforts, data sharing and interdisciplinary collaborations. Unravelling the complex mechanisms, developing real-time diagnostics, and optimizing AI models will be crucial to harness the true power of plasma technology in oncology. The integration of personalized and dynamic plasma therapies, alongside AI and diagnostic sensors, presents a transformative approach to cancer treatment with the potential to improve outcomes globally.

Henry’s constants for different existing compounds in water have great importance in transfer calculations. Measurement of these constants face different difficulties including high costs of experiment and low accuracy of measurement apparatus. Due to these facts, proposing a low cost and accurate approach becomes highlighted. To this end, adaptive neuro-fuzzy inference system (ANFIS) and least squares support vector machine (LSSVM) have been used as Henry’s constant predictor tools. The molecular structure of compounds has been used as inputs of models. After training the models, the visual and mathematical studies of outputs have been done. The coefficients of determination of LSSVM and ANFIS algorithms are 0.999 and 0.990 respectively. According to the comprehensiveness of databank and accurate prediction of algorithms, it can be concluded that LSSVM and ANFIS algorithms are accurate methods for prediction of Henry’s constant in wide range of chemical structure of compounds in water.

The speed with which text can be read is determined in part by the spatial regularity and similarity of vertical letter strokes as assessed by the height of the first peak in the horizontal autocorrelation of the text. The height of this peak was determined for two passages in 20 fonts. The peak was unaffected by the size of the text or its content but was influenced by the font design. Sans serif fonts usually had a lower peak than serif fonts because the presence of serifs resulted in a more even spacing of letter strokes. There were small effects of justification and font- dependent effects of font expansion and compression. The visual comfort of images can be estimated from the extent to which the Fourier amplitude spectrum conforms to 1/f. Students were asked to adjust iBooks to obtain their preferred settings of font and layout. The preference was predicted by the extent to which the Fourier amplitude spectrum approximated 1/f, which in turn was jointly affected by the design of the font, its weight and the ratio of x-height to line separation. The above algorithms can be usefully applied to any orthography to estimate likely speed and comfort of reading.

Longitudinal dispersion coefficient (LDC) plays an essential role in modeling the transport of pollution and sediment in the natural rivers. As a result of transportation processes, the concentration of pollution changes along the river. Different studies have been conducted to provide simple equations for estimating LDC. In this study, Support Vector Regression (SVR), Gaussian Process Regression (GPR), M5P and Random Forest (RF) examined to predict the LDC in the natural streams. The hydraulic and geometric features of different rivers gathered for developing the mentioned models for LDC estimation and various statistical criteria were utilized to scrutinize of the models. Furthermore, the Taylor chart was used to evaluate the models and achieved results showed that among machine learning models, M5P displayed the superior performance with CC of 0.823, SI of 0.812, NS of 0.577 and WI of 0.879. As well, S-D model with CC of 0.795 SI of 0.827, NS of 0.558 and WI of 0.890 had more precise results than other empirical models. The results indicates that the developed M5P model with simple formulations was superior to other machine learning models and empirical models and therefore, it can be used as a proper tool for estimating LDC in natural rivers.

This paper proposes a method based on genetic algorithm (GA) for the security-constrained optimal dispatch of integrated natural gas and electricity networks, considering operating scenarios in both energy systems. The mathematical formulation of the optimization problem consists of a multi-objective function which aims to minimize both cost of thermal generation (diesel and natural gas) as well as the production and transportation of natural gas. The joint gas-electricity system is modeled by two separate groups of nonlinear equation, which are solved by the combination of Newton's method with the GA. The applicability of the proposed method is tested in the Belgian gas network integrated with the IEEE 14-bus test system and a 15-node natural gas network integrated with the IEEE 118-bus test system. The results demonstrate that the proposed method provides efficient and secure solutions for different operating scenarios in both energy systems.

Chronic Kidney Disease is a medical condition that causes the decrease in the kidney function and can eventually derive in a total cessation of the work of the organ. It currently affects >10% of the global population, and the number is expected to grow within the next few years, since the correlated diabetes condition is escalating too. Diagnosing the disease on its early stages is crucial to improve life quality, and to increase the chances of survival. The traditional diagnostic methods, which include a biopsy, are invasive, expensive and dangerous. With the use of machine learning algorithms like neural networks, random forest and genetic algorithms, this paper seeks to discover an algorithm with high accuracy, whose selected attributes will be the most optimal combination aiming to reduce the cost, level of invasiveness, and easiness to obtain.

The algorithm now known as Kadane’s algorithm for the maximum subarray problem uses many of the ideas that Kadane proposed, but it is not the algorithm that Kadane intended. This paper compares the two algorithms in question. They are both linear in time, employ just a few words of memory, and use a dynamic programming structure. The upshot is two light-weight algorithms for the maximum subarray problem.

In many Bayesian computations, first, we obtain the expression of the joint distribution of all the unknown variables given the observed data. In general, this expression is not separable in those variables. Thus, obtaining their marginals for each variable and computing the expectations are difficult and costly. This problem becomes even more difficult in high dimensional quandaries, which is an important issue in inverse problems. We may then try to propose a surrogate expression with which we can do approximate computations. Often a separable expression approximation can be useful enough. The Variational Bayesian Approximation (VBA) is a technique that approximates the joint distribution $p$ with an easier, for example separable, one $q$ by minimizing Kullback–Leibler Divergence $KL(q|p)$. When $q$ is separable in all the variables, the approximation is also called Mean Field Approximation (MFA) and so $q$ is the product of the approximated marginals. A first standard and general algorithm is alternate optimization of $KL(q|p)$ with respect to $q_i$. A second general approach is its optimization in the Riemannian manifold. However, in this paper, for practical reasons, we consider the case where $p$ is in the exponential family and so is $q$. For this case, $KL(q|p)$ becomes a function of the parameters $\thetab$ of the exponential family. Then, we can use any other optimization algorithm to obtain those parameters. In this paper, we compare three optimization algorithms: standard alternate optimization, a gradient-based algorithm and a natural gradient algorithm and study their relative performances on three examples.

Ankylosing spondylitis (AS) is a chronic inflammatory disorder with unknown etiology and hard to early diagnose. It’s imperative to investigate the changes in AS patients’ peripheral blood, which may contribute to the diagnosis and further understanding of AS. Common differential expressed genes between normal and AS patients in GSE73754 and GSE25101 were screened by machine learning algorithms. IL2RB and ZDHHC18 were hubgenes screened and a diagnostic model was established. C-indexes and calibration analyses suggested high prediction accuracy of the model in training and validation cohorts. The AUC values of the model in GSE73754, GSE25101, GSE18781 and GSE11886 were 0.86, 0.84, 0.85 and 0.89 respectively. Decision curve analyses suggested high net benefit by the model. Functional analysis of the differential expressed genes indicated that they were mainly clustered in processes related to immune response. Immune microenvironment analysis revealed that neutrophils were expanded and activated in AS, while some T cells were decreased. IL2RB and ZDHHC18 were potential blood biomarkers for AS and might be used for early diagnosis and a supplementary diagnostic tool to the existing methods. Our study deepened the insight into the pathogenesis of AS.

Online reinforcement learning (RL) algorithms are increasingly used to personalize digital interventions in the fields of mobile health and online education. Common challenges in designing and testing an RL algorithm in these settings include ensuring the RL algorithm can learn and run stably under real-time constraints, and accounting for the complexity of the environment, e.g., a lack of accurate mechanistic models for the user dynamics. To guide how one can tackle these challenges, we extend the PCS (Predictability, Computability, Stability) framework, a data science framework that incorporates best practices from machine learning and statistics in supervised learning (Yu and Kumbier, 2020), to the design of RL algorithms for the digital interventions setting. Further, we provide guidelines on how to design simulation environments, a crucial tool for evaluating RL candidate algorithms using the PCS framework. We illustrate the use of the PCS framework for designing an RL algorithm for Oralytics, a mobile health study aiming to improve users' tooth-brushing behaviors through the personalized delivery of intervention messages. Oralytics will go into the field in late 2022.

Identifying or authenticating a computer user are necessary steps to keep systems secure on the network and to prevent fraudulent users from accessing accounts. Keystroke dynamics authentication can be used as an additional authentication method. Keystroke dynamics involves in-depth analysis of how you type on the keyboard, analysis of how long a key is pressed or the time between two consecutive keys. This field has seen a continuous growth in scientific research. In the last five years alone, about 10,000 scientific researches in this field have been published. One of the main problems facing researchers is the small number of public data sets that include how users type on the keyboard. This paper aims to provide researchers with a data set that includes how to type free text on the keyboard by 80 users. The data were collected in a single session via a web platform. The dataset contains 410,633 key-events collected in a total time interval of almost 24 hours. In similar research, most datasets are with texts written by users in English. The language in which the users wrote for this research is Romanian. This paper also provides an extensive analysis of the data set collected and presents relevant information for the analysis of the data set in future research.

This paper presents a novel micro-segmented genetic algorithm (μsGA) to identify the best solution for the locomotion of a quadruped robot designed on a rectangular ABS plastic platform. We compare our algorithm with three similar algorithms found in the specialized literature: a standard genetic algorithm (GA), a micro-genetic algorithm (μGA), and a micro artificial immune system (μAIS). The quadruped robot prototype guarantees the same conditions for each test. The platform was developed using 3D printing for the structure and can accommodate the mechanisms, sensors, servomechanisms as actuators. It also has an internal battery and a multicore embedded system (mES) to process and control the robot locomotion. This research proposes a μsGA that segments the individual into specific bytes. μGA techniques are applied to each segment to reduce the processing time; the same benefits as the GA are obtained, while the use of a computer and the high computational resources characteristic of the GA are avoided. This is the reason why some research in robot locomotion is limited to simulation. The results show that the performance of μsGA is better than the three other algorithms (GA, μGA and AIS). The processing time was reduced using a mES architecture that enables parallel processing, meaning that the requirements for resources and memory were reduced. This research solves the problem of continuous locomotion of a quadruped robot, and gives a feasible solution with real performance parameters using a μsGA bio-micro algorithm and a mES architecture.

In this paper, we provide a study on the effects of applying classical clustering algorithms, such as k-Means to free text recommender systems. A typical recommender system may face problems when the number of items from a database goes from a few items to hundreds of items. Currently, one of the most prominent techniques to scale the database is applying clustering, however clustering may have a negative impact on the accuracy of the system when applied without taking into consideration the underlying items. In this work, we build a conceptual text recommender system and use k-Means to partition its search space into different groups. We study how the variation of the number of clusters affects its performance in the light of two performance measurements: recommendation time and precision. We also analyze if this clustering is affected by the representation of text we use. All the techniques used in this study uses word-embeddings to represent the document. One of the main findings of this work is that using clustering we can improve the recommendation time in up to almost 30 times without affecting much off its initial accuracy. Another interesting finding is that the increment of the number of clusters is not directly translated into linear performance.

In this paper, we propose a simple tool to help the energy management of a large buildings stock defining clusters of buildings with the same function, setting alert thresholds for each cluster, and easily recognizing outliers. The objective is to enable a building management system to be used for detection of abnormal energy use. First, we framed the issue of energy performance indicators, and how they feed into data visualization (Data Viz) tools for a large building stock, especially for university campuses. Both for Data Viz and clustering algorithm processes, we discussed two possible approaches to choose the right number of clusters and the identification of alert thresholds and outliers, after a brief presentation of the University of Turin's building stock case study. Different Data Viz tools have been studied to apply a specific clustering algorithm, the k-means one. An explorative analysis based on the general Multidimensional detective approach by Inselberg has been performed. Two multidimensional analysis tools, the Scatter Plot Matrix and the Parallel coordinates method have been used. Secondly, the k-means clustering algorithm has been applied on the same dataset in order to test the hypothesis made during the explorative analysis. Data Viz techniques developed in this study revealed to be very useful to explore quickly and simply a large buildings' stock, identifying the worst efficient buildings and clustering them according to their distinct functions.

In genetic conflicts, driver and killer elements achieve biased survival, replication, or transmission over sensitive and targeted elements through a wide range of molecular mechanisms, including mimicry. Driving mechanisms manifest at all organismal levels, from the biased propagation of individual genes, as demonstrated by transposable elements, to the biased transmission of genomes, as illustrated by viruses, to the biased transmission of cell lineages, as in cancer. Targeted genomes are vulnerable to molecular mimicry through the conserved motifs they use for their own signaling and regulation. Mimicking these motifs enables a selfish element to control core target processes, and can occur at the sequence, structure, or functional level. Molecular mimicry was first appreciated as an important phenomenon more than twenty years ago. Modern genomics technologies, databases, and machine learning approaches offer tremendous potential to study the distribution of molecular mimicry across genetic conflicts in nature. Here, we explore the theoretical expectations for molecular mimicry between conflicting genomes, the trends in molecular mimicry mechanisms across known genetic conflicts, and outline how new examples can be gleaned from population genomic datasets. We discuss how mimics involving short sequence-based motifs or gene duplications can evolve convergently from new mutations. Whereas, processes that involve divergent domains or fully-folded structures occur among genomes by horizontal gene transfer. These trends are largely based on a small number of organisms and should be reevaluated in a general, phylogenetically independent framework. Currently, publicly available databases can be mined for genotypes driving non-mendelian inheritance patterns, epistatic interactions, and convergent protein structures. A subset of these conflicting elements may be molecular mimics. We propose approaches for detecting genetic conflict and molecular mimicry from these datasets.

The vast majority of autonomous driving systems are limited to applications on roads with clear lane markings and are implemented using commercial grade sensing systems coupled with specialized graphic accelerator hardware. This research reviews an alternative approach for autonomously steering vehicles that eliminates the dependency on road markings and specialized hardware. A combination of machine vision, machine learning and artificial intelligence based on popular pre-trained Convolutional Neural Networks (CNN) and Recurrent Neural Networks (RNN) was used to drive a vehicle along roads lacking lane markings (unmarked roads). The team developed and tested this approach on the ACTor (Autonomous Camus TranspORt) vehicle - an autonomous vehicle development and research platform coupled with a low-cost webcam based sensing system and minimal computational resources. The proposed solution was evaluated on real-world roads and varying environmental conditions. It was found that this solution may be used to successfully navigate unmarked roads autonomously with acceptable road following behavior.

Background: The gut microbiome plays a major role in chronic diseases, of which several are characterized by an altered composition and diversity of bacterial communities. Large-scale sequencing projects allowed characterizing the perturbations of these communities. However, translating these discoveries into clinical applications remains a challenges. To facilitate routine implementation of microbiome profiling in clinical settings, portable, real-time, and low-cost sequencing technologies are needed. Results: Here, we propose a computational and experimental protocol for whole genome quantitative metagenomics studies of human gut microbiome with Oxford Nanopore sequencing technology (ONT) that could be applied to other microbial ecosystems. We developed a bioinformatic protocol to analyse ONT sequences taxonomically and functionally and optimized pre-analytic protocols including stool collection and DNA extraction methods to maximize read length. This is a critical parameter for the sequence alignment and classification. Our protocol was evaluated using simulations of metagenomic communities which reflect naturally occuring compositional variations. Next, we validated both protocols using stool samples from a bariatric surgery cohort, sequenced with ONT, Illumina and SOLiD technologies. Results revealed similar diversity and microbial composition profiles. Conclusion: This protocol can be implemented in the clinical or research setting, bringing rapid personalized whole genome profiling of target microbiome species.

Proteins are the main active molecules of Life. While natural proteins play many roles, as enzymes or antibodies for example, there is a need to go beyond the repertoire of natural proteins to produce engineered proteins that precisely meet application requirements, in terms of function, stability, activity or other protein capacities. Computational Protein Design aims at designing new proteins from first principles, using full-atom molecular models. However, the size and complexity of proteins require approximations to make them amenable to energetic optimization queries. These approximations make the design process less reliable and a provable optimal solution may fail. In practice, expensive libraries of solutions are therefore generated and tested. In this paper, we explore the idea of generating libraries of provably diverse low energy solutions by extending Cost Function Network algorithms with dedicated automaton-based diversity constraints on a large set of realistic full protein redesign problems. We observe that it is possible to generate provably diverse libraries in reasonable time and that the produced libraries do enhance the Native Sequence Recovery, a traditional measure of design methods reliability.

In this paper, we introduce a computational procedure that enables autonomous LEO laser trackers endowed with INSs to increase the current accuracy when shooting at middle distant medium-size LEO debris targets. The code is designed for the trackers to throw the targets into the Atmosphere by means of ablations. In case that the targets are eclipsed to the trackers by the Earth, the motions of the trackers and targets are modeled by equations that contain post-Newtonian terms accounting for the curvature of space. Otherwise, when the approaching targets become visible for the trackers, we additionally use more accurate equations, which allow to account for the local bending of the laser beams aimed at the targets. We observe that under certain circumstances the correct shooting configurations that allow to safely and efficiently shoot down the targets, differ from the current estimations by distances that may be larger than the size of many targets. In short, this procedure enables to estimate the optimal shooting instants for any middle distant medium-size LEO debris target.

A new framework in quantum chemistry has been proposed recently ("An approach to first principles electronic structure calculation by symbolic-numeric computation'' by A. Kikuchi). It is based on the modern technique of computational algebraic geometry, viz. the symbolic computation of polynomial systems. Although this framework belongs to molecular orbital theory, it fully adopts the symbolic method. The analytic integrals in the secular equations are approximated by the polynomials. The indeterminate variables of polynomials represent the wave-functions and other parameters for the optimization, such as atomic positions and contraction coefficients of atomic orbitals. Then the symbolic computation digests and decomposes the polynomials into a tame form of the set of equations, to which numerical computations are easily applied. The key technique is Grröbner basis theory, by which one can investigate the electronic structure by unraveling the entangled relations of the involved variables. In this article, at first, we demonstrate the featured result of this new theory. Next, we expound the mathematical basics concerning computational algebraic geometry, which are necessitated in our study. We will see how highly abstract ideas of polynomial algebra would be applied to the solution of the definite problems in quantum mechanics. We solve simple problems in "quantum chemistry in algebraic variety'' by means of algebraic approach. Finally, we review several topics related to polynomial computation, whereby we shall have an outlook for the future direction of the research.

The evaluation of geometric defects is necessary in order to maintain the integrity of structures over time. These assessments are designed to detect damages of structures and ideally help inspectors to estimate the remaining life of structures. Current methodologies for monitoring structural systems, while providing useful information about the current state of a structure, are limited in the monitoring of defects over time and in linking them to predictive simulation. This paper presents a new approach to the predictive modeling of geometric defects. A combination of segmented from point clouds are parametrized using the convex hull algorithm to extract features from detected defects, and a stochastic dynamic model is then adapted to these features to model the evolution of the hull over time. Describing a defect in terms of its parameterized hull enables consistent temporal tracking for predictive purposes, while implicitly reducing data dimensionality and complexity as well. In this study, 2D point clouds analogous to information derived from point clouds were first generated over simulated life-cycles. The evolutions of point cloud hull parameterizations were modeled as stochastic dynamical processes via autoregressive integrated moving average (ARIMA) and vectorized autoregression (VAR) and compared against ground truth. The results indicate that this convex hull approach provides consistent and accurate representations of defect evolution across a range of defect topologies and is reasonably robust to noisy measurements, however assumptions regarding the underlying dynamical process play a significant the role in predictive accuracy. The results were then validated on experimental data from fatigue testing with high accuracy. Longer term, the results of this work will support finite element model updating for predictive analysis of structural capacity.

Mineral surfaces have been demonstrated to play a central role in prebiotic reaction, which are supposed to be at the basis of the origin of life. Among the various molecules proposed as precursors for these reactions, one of the most interesting is formamide. Formamide has been shown to be a pluripotent molecule, generating a wide distribution of relevant pre-biotic products. In particular, the outcomes of its reactivity are strongly related to the presence of mineral phases, acting as catalysts toward specific reaction pathways. Even if the mineral-products relationship has been deeply studied for a large pool of materials, the fundamental description of the formamide reactivity over the mineral surface at a microscopic level is missing in the literature. In particular, a key step of formamide chemistry at surfaces is its adsorption on the available interaction sites. This report aims to investigate the adsorption of formamide over a well-defined amorphous silica, chosen as model mineral surface. An experimental IR investigation of formamide adsorption has been carried out and its outcomes have been interpreted on the basis of first principles simulation of the process adopting a realistic model of the amorphous silica.

Silicates are among the most abundant and important inorganic materials, not only in the Earth’s crust but also in the interstellar medium in the form of micro-/nano-particles or embedded in the matrices of comets, meteorites and other asteroidal bodies. Although the crystalline phases of silicates are indeed present in Nature, amorphous forms are also highly abundant. Here we report a theoretical investigation of the structural, dielectric and vibrational properties of the amorphous bulk for forsterite (Mg₂SiO₄) as a silicate test case by a combined approach of classical molecular dynamics (MD) simulations for structure evolution, and periodic quantum mechanical DFT calculations for electronic structure analysis. Using classical MD based on an empirical partial charge rigid ionic model within a melt-quenching scheme at different temperatures performed with the GULP 4.0 code amorphous bulk structures for Mg₂SiO₄ were generated using as initial guess the crystalline phase. This has been done for bulks with three different unit cell sizes adopting a super-cell approach; i.e., 1×1×2, 2×1×2 and 2×2×2. The radial distribution functions indicated a good degree of amorphisation of the structures. Periodic B3LYP-geometry optimizations performed with the CRYSTAL14 code on the generated amorphous systems were used to analyze their structure, to calculate their high frequency dielectric constants (ε_∞), and to simulate the IR, Raman and reflectance spectra, which were compared with the experimental and theoretical crystalline Mg₂SiO₄. The most significant changes of the physico-chemical properties of the amorphous systems compared to the crystalline ones are presented and discussed (e.g., larger deviations in the bond distances and angles, broadening of the IR bands, etc.), which are consistent with their disordered nature. It is also shown that by increasing the unit cell size the bulk structures present larger degree of amorphisation.

At the Atsumi Wind Farm in Aichi Prefecture, Japan, damage to wind turbines occurred frequently due to terrain-induced turbulence. In the present study, numerical analyses of terrain-induced turbulence were conducted by reproducing the topography in the vicinity of the wind turbine sites in high resolution and using RIAM-COMPACT natural terrain version, which is based on large eddy simulation (LES). The results of the diagnoses indicated that, in the case of south-easterly wind, terrain-induced turbulence is generated at a small terrain feature located upstream of Wind Turbine (WT) #2, which serves as the origin of the turbulence. At the Atsumi Wind Farm, a combination of the series of wind diagnoses and on-site operation experience led to a decision to adopt an "automatic shutdown program" for WTs #1 and #2. Here, "automatic shutdown program" refers to the automatic suspension of wind turbine operation upon the wind speed and direction meeting the conditions associated with significant effects of terrain-induced turbulence at a wind turbine site. The adoption of the "automatic shutdown program" has successfully resulted in a large reduction in the number of occurrences of wind turbine damage, thus, creating major positive economic effects. 1) a reduction in the repair costs by 9.322 million yen per year per wind turbine, 2) an increase in the availability factor by 8.05%, and 3) an increase in the capacity factor by 1.7%.

Epidemiological surveillance and phylogenetic studies rely nowadays on processing and analysing huge volumes of data. Processing tasks consist on running and refining a series of intertwined computational tasks. And, despite of existing several web applications for data processing and interactive visualization for phylogenetic studies, integrating many different tools and algorithms, their execution is total or partially on the client side, making them unsuitable for dealing with huge volumes of data. Studies are often also not easy to reproduce. On the other hand, in recent years, data-centric workflow systems have been proposed, allowing to deal better with increasingly larger datasets. The integration of these systems within phylogenetic tools will allow to scale them as required, and will contribute also to promote studies reproducibility. We propose then the FLOWViZ middleware for facilitating the integration of a state of the art data-centric workflow system, Apache Airflow, within web applications for phylogenetic analyses. This framework abstracts contracts and a core API for defining tools and workflows, where tools are assumed to be containerized. FLOWViZ has been tested and evaluated within the PHYLOViZ web application, a tool supporting phylogenetic inference and data visualization.

Atrial fibrillation (AF) is a common arrhythmia. Better prevention and treatment of AF are needed to reduce AF-associated morbidity and mortality. Several major mechanisms cause AF in patients, including a genetic predisposition to develop AF. Genome-wide association studies have identified genetic variants associated with AF populations, with the strongest hits clustering on chromosome 4q25, close to the gene coding for the homeobox transcription PITX2. Because of the inherent complexity of the human heart, experimental and basic research on PITX2-dependent AF is not sufficient for understanding atrial functional proprieties. Linking PITX2 to ion channels, cells, tissues, atria and the whole heart, computational models are necessary for achieving a quantitative understanding of atrial structure and function in PITX2-dependent AF. Computational approaches are used to capture all that we know about PITX2-dependent AF and to develop improved therapies. In the present review, we discuss advances in atrial modelling and focus on the mechanistic links between PITX2 and AF. Challenges in applying models for improving patient health are described, as well as a summary of future perspectives.

Long noncoding RNA (lncRNA) are implicated in various genetic diseases and cancer, attributed to their critical role in gene regulation. RNA sequencing is used to capture their transcripts from certain cell types or conditions. For some studies, lncRNA interactions with other biomolecules have also been captured, which can give clues to their mechanisms of action. Complementary \textit{in silico} methods have been proposed to predict non-coding nature of transcripts and to analyze available RNA interaction data. Here we provide a critical review of such methods and identify associated challenges. Broadly, these can be categorized as reference-based and reference-free or \textit{ab initio}, with the former category of methods requiring a comprehensive annotated reference. The \textit{ab initio} methods can make use of machine learning classifiers that are trained on features extracted from sequences, making them suitable to predict novel transcripts, especially in non-model species. Machine learning approaches such as Logistic Regression, Support Vector Machines, Random Forest, and Deep Learning are commonly used. Initial approaches relied on basic sequential features to train the model, whereas the use of secondary structural features appears to be a promising approach for functional annotation. However, adding secondary features will result in model complexities, thus demanding an algorithm that can handle it and furthermore, considerably increasing the utilization of computation resources. Computational strategies combining identification and functional annotation which can be easily customized are currently lacking. These can be of immense value to accelerate research in this class of RNAs.

The recent Google’s claim on breakthrough in quantum computing is a gong signal for further analysis of foundational roots of (possible) superiority of some quantum algorithms over the corresponding classical algorithms. This note is a step in this direction. We start with critical analysis of rather common reference to entanglement and quantum nonlocality as the basic sources of quantum superiority. We elevate the role of the Bohr’s principle of complementarity¹ (PCOM) by interpreting the Bell-experiments as statistical tests of this principle. (Our analysis also includes comparison of classical vs genuine quantum entanglements.) After a brief presentation of PCOM and endowing it with the information interpretation, we analyze its computational counterpart. The main implication of PCOM is that by using the quantum representation of probability, one need not compute the joint probability distribution (jpd) for observables involved in the process of computation. Jpd’s calculation is exponentially time consuming. Consequently, classical probabilistic algorithms involving calculation of jpd for n random variables can be over-performed by quantum algorithms (for big values of n). Quantum algorithms are based on quantum probability calculus. It is crucial that the latter modifies the classical formula of total probability (FTP). Probability inference based on the quantum version of FTP leads to constructive interference of probabilities increasing probabilities of some events. We also stress the role the basic feature of the genuine quantum superposition comparing with the classical wave superposition: generation of discrete events in measurements on superposition states. Finally, the problem of superiority of quantum computations is coupled with the quantum measurement problem and linearity of dynamics of the quantum state update.

Coordinated sets of extremely numerous digital data, on a given social or economic event, are treated by Artificial Intelligence tools to obtain reasonably accurate, valuable predictions. The same approach, applied to biomedical issues, as how to choose the right drug to completely cure a given cancer patient, does not reach satisfactory results. It is the “organized biological complexity”, which requires a different systems approach, to integrate, in an Augmented Intelligence strategy, statistical computations of digital data, network construction of “omics” findings, well-designed mathematical models and new experiments in an iterative pathway to reconstruct the “logic” beneath the “organized complexity”, as shown here for Systems Metabolomics of cancer. On this basis new diagnostic approaches, able to identify precision drug treatments, as well as new discovery strategy for more effective anti-cancer drugs are described.

In this report we have discussed the important role of molecular modeling, especially the use of the molecular dynamics method, in investigating transport processes in nanoporous materials such as membranes. With the availability of high performance computers, molecular modeling can now be used to study rather complex systems at a fraction of the cost or time requirements of experimental studies. Molecular modeling techniques have the advantage of being able to access spatial and temporal resolution which are difficult to reach in experimental studies. For example, sub-Angstrom level spatial resolution is very accessible as is sub-femtosecond temporal resolution. Due to these advantages, simulation can play two important roles: Firstly because of the increased spatial and temporal resolution, it can help understand phenomena not well understood. As an example, we discuss the study of reverse osmosis processes. Before simulations were used it was thought the separation of water from salt was purely a coulombic phenomenon. However, by applying molecular simulation techniques, it was clearly demonstrated that the solvation of ions made the separation in effect a steric separation and it was the flux which was strongly affected by the coulombic interactions between water and the membrane surface. Additionally, because of their relatively low cost and quick turnaround (by using multiple processor systems now increasingly available) simulations can be a useful screening tool to identify membranes for a potential application. To this end, we have described our studies in determining the most suitable zeolite membrane for redox flow battery applications. As computing facilities become more widely available and new computational methods are developed, we believe molecular modeling will become a key tool in the study of transport processes in nanoporous materials.

This review article explores the transformative impact of Artificial Intelligence (AI) on glaucoma care, focusing on advancements in diagnosis, monitoring, and treatment algorithms. AI technologies have revolutionized the field of ophthalmology by enhancing the accuracy and efficiency of diagnosing glaucoma. Furthermore, AI-powered monitoring systems enable continuous and personalized patient care, facilitating early detection of disease progression. Integrating AI algorithms in treatment protocols promises individualized and optimized therapeutic strategies for better management of glaucoma. This comprehensive review elucidates AI applications' current state and future directions in transforming glaucoma care, emphasizing the potential benefits of improving patient outcomes.

Disease detection and prediction have been one of the most frequent uses of machine learning models in the last decade, and Parkinson's disease is no exception. It is common for people in their old age to have one form of disease or another depending on the circumstances in which they find themselves. This study analyzed and evaluated various supervised machine learning models to detect the presence of Parkinson's disease in elderly individuals. An extreme gradient boosting model, along with other models, such as naïve Bayes, random forest, K-nearest neighbor, and support vector machine (SVM), was implemented to determine the best outcome. The extreme gradient boosting (XGBoost) model is a powerful boosting machine learning technique, particularly in terms of speed and accuracy. The results showed that the XGBoost model, which is an optimized version of the other boosting models, is capable of projecting the presence of Parkinson's disease with very high accuracy compared to other algorithms. The implemented classification algorithm extreme gradient boosting method achieved approximately 98 % accuracy, 97.5 % precision, 100.0 % recall, and 98.7% f1-score which are high compared with the results found in the existing literature.