The sustainability of agriculture depends as much on the natural resources required for production as it does on the stakeholders that manage those resources. It is thus essential to understand the variables that influence the decision-making process of agricultural stakeholders to design educational programs, interventions, and policies geared towards their specific needs, a required step to enhance agricultural sustainability. We examined the perceptions, experiences, and priorities that influence management decisions of five major groups of agricultural stakeholders (conventional small grain producers, organic small grain producers, organic vegetable producers, extension agents and agro-industry crop consultants, and researchers) across the Montana, United States. Results revealed that while stakeholder groups have distinct perceptions, experiences, and priorities, there were similarities across groups. Specifically, organic vegetable and organic small grain producers showed similar responses that were, in turn, divergent of conventional producers, researchers, and crop consultants. Conventional small grain producers and researchers showed overlapping response patterns while crop consultants formed an isolated group. Our results reinforce the need for agricultural education and programs that address unique and shared experiences, priorities, and concerns of multiple stakeholder groups. This study endorses the call for a paradigm shift from the traditional top-down agricultural extension model to one that accounts for participants’ socio-ecological contexts to facilitate the adoption of sustainable agricultural systems that support environmental and human wellbeing.

This case study assessed marketing arrangements used by small scale farmers in the Lake Basin and Lower Eastern bean corridors of Kenya to determine which markets work for rural producers and what changes are needed to produce and supply sufficient quantities for trade. Using exploratory research, data was collected through focus group discussions with six farmer groups representing a total of 1255 bean farmers and key informant interviews with extension staff. The results indicated that 94% of the farmers produced beans before identifying buyers with only 6% participating in group marketing. Though spot-market transactions with brokers and traders provided ready cash for the farmers, formal buyers were perceived to be more reliable but difficult to find and, operated stringent requirements which were a barrier to entry. A theory of change to integrate smallholders into formal markets to sustainably produce and supply sufficient volumes for trade should entail a transformation agenda at four levels of the value chain: intensification of production through pure stand models with greater use of certified high yielding varieties; stable price guarantees; a market-driven research and extension service and; an enabling political, policy and business environment in the bean value chain. Further research is needed to pilot these changes in a case control study.

The generalization of Farey graphs and extended Farey graphs are all originated from Farey graph and scale-free and small-world simultaneously. We propose a labeling of the vertices for it that allows determining all the shortest paths routing between any two vertices only based on their labels. The maximum number of shortest paths between any two vertices is huge as the product of two Fibonacci numbers, however, the label-based routing algorithm runs in linear time O(n). The existence of an efficient routing protocol for Farey-type models should help the understanding of several physical dynamic processes on it.

Protein-DNA interactions are critical for the successful functioning of all natural systems. The key role in these interactions is played by processes of protein search for specific sites on DNA. Although it has been studied for many years, only recently microscopic aspects of these processes became more clear. In this work, we present a review on current theoretical understanding of the molecular mechanisms of the protein target search. A comprehensive discrete-state stochastic method to explain the dynamics of the protein search phenomena is introduced and explained. Our theoretical approach utilizes a first-passage analysis and it takes into account the most relevant physical-chemical processes. It is able to describe many fascinating features of the protein search, including unusually high effective association rates, high selectivity and specificity, and the robustness in the presence of crowders and sequence heterogeneity.

Parametric cyclonic wind fields are widely used worldwide for insurance risk underwriting, coastal planning, or storm surge forecasts. They support high-stakes financial, development, and emergency decisions. Yet, there is still no consensus on the best parametric approach, or relevant guidance to choose among the great variety of published models. The aim of this paper is first and foremost to demonstrate that recent progresses on estimating extreme surface wind speeds from satellite remote sensing now makes it possible to select the best option with greater objectivity. In particular, we show that the Cyclone Global Navigation Satellite System (CYGNSS) mission of NASA is able to capture a substantial part of the tropical cyclones structure, and allows identifying systematic biases in a number of parametric models. Our results also suggest that none of the traditional empirical approaches can be considered as the best option in all cases. Rather, the choice of a parametric model depends on several criteria such as cyclone intensity and/or availability of wind radii information. The benefit of using satellite remote sensing data to better select a parametric model for a specific case study is tested here by simulating hurricane Maria (2017). The significant wave heights computed by a wave-current hydrodynamic coupled model are found to be in good accordance with the predictions given by the remote sensing data in terms of bias. The results and approach presented in this study should shed new light on how to handle parametric cyclonic wind models, and help the scientific community to conduct better wind, waves and surge analysis for tropical cyclones.

Throughout the world, disabilities people have worse health prospects, lower education levels, lower economic participation, and higher poverty rate in comparative terms to people without disabilities. For disabilities people achieve better, more long-lasting prospects, we must empower these people and remove barriers that restrict them from participating in the community have access to quality education, to find decent work and have their voices heard. In statistical terms, a very useful alternative that can provide support and monitoring of public policies in this area is proposing to be used continuously. A risk index called risk index disabled person who is to assess which factors are associated to this risk, as well as the intensity and direction of each of these factors, yielding a final score that can be sorted or classified according to the probability of people acquire a certain disability. In the Brazilian case, we propose the use of techniques such as binary and ordinal logistic regression to select the most significant factors using criteria such as AIC, BIC and DIC. Calculate the risk probability for different disabilities (see, hear, move and intellectual) and number of disabilities to the dataset Sample of respondents for Full Questionnaire at IBGE 2010 Census. In this work, by using stereotype ordinal logistic model with ordinal response, it was possible to improve the fit quality, to be compared with binary response logistic model. By using ordinal response merged the disability risk for different severity degree and amount of deficiencies. Mains conclusions were: i)the model required a smaller number of explanatory variables was intellectual or mental and greater number was disabilities; ii) the most sensitive adjust was using stereotype ordinal logistic; iii) different disabilities aren´t homogenous as the different predictor variables, and finally; iv) higher incidence of risks were noted visual disability, living in the northeast, female, age 80, yellow race, instruction level until incomplete fundamental, works production form their own consumption and high number of children.

Considering the important demand of fresh water and its scarce availability, water desalination is an interesting technology, producing about 44 Mm³/year worldwide, but, in general the most common desalination techniques are highly energy demanding. Freezing-Melting (F/M) desalination uses just up to 70% less thermal energy, but is the least used process mainly, due to the difficulty of the salt separation. This study proposes a model able to analyses the thermodynamic potential that allows the salt diffusion during the F/M process, using an aqueous solution of sodium chloride. This should allow to obtain a sensitive analysis of the process to promote the separation between the high concentration brine and the ice with liquid separation by physical process. The unidimensional model is based on the evolution of both processes: thermal and mass diffusions, depending on temperature and saline gradients, predicting whether the salt will remain inside the ice or not. Thus, the thermal potential is adjusted to frozen only when the salt has been "pushed" towards the brine. Mostly models have base their results on the assumption of a “certain value of saline concentration of the liquid fraction”, value in which there is great disagreement. In this paper the calculations are based on the concentration in the solid-liquid interface, which has been extensively studied and there is a coincidence in those results, being the main advantage of the proposed model.

Recent advances in sensor and platform technologies such as satellite systems, unmanned aerial vehicles (UAV), manned aerial platforms, and ground-based sensor networks have resulted in massive volumes of data is produced and collected about the earth. Processing, managing, and analyzing these data is one of the main challenges in 3D synthetic representation used in modeling and simulation (M&S) of the natural environment. M&S devices, such as flight simulators, traditionally require a variety of different databases to provide a synthetic representation of the world. M&S often requires integration of data from a variety of sources stored in different formats. Thus, for simulation of a complex synthetic environment, such as a 3D terrain model, tackling interoperability among its components (geospatial data, natural and man-made objects, dynamic and static models) is a critical challenge. Conventional approaches used local proprietary data models and formats. These approaches often lacked interoperability and created silos of content within the simulation community. Therefore, open geospatial standards are increasingly perceived as a means to promote interoperability and reusability for 3D M&S. In this paper, the Open Geospatial Consortium (OGC) CDB Standard is introduced. “CDB” originally refers to Common DataBase which is currently considered as a name with no abbreviation in the OGC community. The OGC CDB is an international standard for structuring, modeling, and storing geospatial information required in high performance modeling and simulation applications. CDB defines the core conceptual models, use cases, requirements, and specifications for employing geospatial data in 3D M&S. The main features of the OGC CDB Standard are described as run-time performance, full plug-and-play interoperable geospatial data store, usefulness in 3D and dynamic simulation environment, ability to integrate proprietary and open-source data formats. Furthermore, compatibility with the OGC standards baseline reduces the complexity of discovering, transforming, and streaming geospatial data into the synthetic environment and makes them more widely acceptable to major geospatial data/software producers. This paper includes an overview of OGC CDB version 1.0 which defines a conceptual model and file structure for the storage, access, and modification of a multi-resolution 3D synthetic environment data store. Finally, this paper presents a perspective of future versions of the OGC CDB and what the steps are for humanizing the OGC CDB standard with the other OGC/ISO standards baseline.

Predicting electricity prices is a very important issue in modern society, because the associated decision process under uncertainty requires accurate forecasts for the economic agents involved. In this paper, we apply the decision tree extension of Random Forests to the prediction of electricity prices in Spain, but with the novelty of modeling prices jointly with demand, with the purpose of achieving greater accuracy than with univariate response Random Forests, particularly in price prediction, as well as understanding the effect of the input variables (lagged values of price and demand, current production levels of available energy sources) on the joint of the two outputs. The results are very encouraging, providing significant increase in price prediction accuracy. Also, interesting methodological challenges appear as far as the appropriate choice of the relative weights of price and demand in the joint modeling is concerned and a new procedure to provide the importance variable ranking is proposed. The partykit (package of R software) library allowing for multivariate Random Forests has been used.

This paper studies the duration patterns of unemployment spells for immigrants and the determinants of unemployment’s completion into one of a number of studied labour market states in Finland. We estimate a duration model for unemployment with competing risks of its terminating into employment, labour market training or economic inactivity. Taking into account the wide period of observation and opportunities to analyse processes of labour market integration during various periods of economic development in Finland, in combination with the individualistic character of the labour careers of immigrants, this research is beneficial owing to the many various findings concerning labour market integration of immigrants. The approach undertaken in this research has a dualistic “descriptive-dynamic” character under which integration is understood as a never-ending process, which is conditioned by a time period of long-term existence and a context of solitary action. We find that transitions out of unemployment spells have a cyclical character; after every new “cycle” in unemployment, the probability of terminating unemployment decreases further. We also find that ascriptive factors make sense in the process of job-placement of immigrants from unemployment. Therefore, the gender, education and age of immigrants, as well as the effect of the period in which first unemployment occurred, potentially predict transitions out of unemployment and further labour market integration of immigrants.

From the various perspectives of Machine Learning (ML) and the multiple models used in this discipline, there is an approach aimed at training models for the Early Detection (ED) of anoma-lies. The early detection of anomalies is crucial in multiple areas of knowledge since identifying and classifying them allows for early decision-making and provides a better response to mitigate the negative effects caused by late detection in any system. This article presents a literature review to examine which machine learning models (MLM) operate with a focus on ED in a multidisci-plinary manner and specifically how these models work in the field of fraud detection. A variety of models were found, including Logistic Regression (LR), Support Vector Machines (SVM), De-cision Trees (DT), Random Forests (RF), Naive Bayesian Classifier (NB), K-Nearest Neighbors (KNN), Artificial Neural Networks (ANN), Extreme Gradient Boosting (XGB), among others. It was identified that MLMs operate as isolated models, categorized in this article as Single Base Models (SBM) and Stacking Ensemble Models (SEM). It was identified that MLMs for ED in multiple areas under SBM and SEM implementation achieved accuracies greater than 80% and 90%, respectively. n fraud detection, accuracies greater than 90% were reported by the authors. The article concludes that MLMs for ED in multiple applications, including fraud, offer a viable way to identify and classify anomalies robustly, with a high degree of accuracy and precision. MLMs for ED in fraud are useful as they can quickly process large amounts of data to detect and classify suspicious transactions or activities, helping to prevent financial losses.

Artificial intelligence methods, especially artificial neural networks (ANNs), have increasingly been utilized for the mathematical description of physical phenomena in (metallic) material processing. Traditional methods often fall short in explaining the complex, real-world data ob-served in production. While ANN models, typically functioning as "black boxes," improve pro-duction efficiency, a deeper understanding of the phenomena, akin to that provided by explicit mathematical formulas, could enhance this efficiency further. This article proposes a general framework that leverages (CAE) ANNs to explain predicted results alongside their graphical presentation, marking a significant improvement over previous approaches and those relied on expert assessments. Unlike existing Explainable AI (XAI) methods, the proposed framework mimics the standard scientific methodology, utilizing minimal parameters for the mathematical representation of physical phenomena and their derivatives. Additionally, it analyzes the relia-bility and accuracy of the predictions using well-known statistical metrics, transitioning from deterministic to probabilistic descriptions for better handling of real-world phenomena. The proposed approach addresses both aleatory and epistemic uncertainties inherent in the data. The concept is demonstrated through the hot extrusion of aluminum alloy 6082, where CAE ANN models and predicts key parameters, and ChatGPT explains the results, enabling researchers and/or engineers to better understand the phenomena and outcomes obtained by ANNs.

Recognized as key players in achieving the Sustainable Development Goals (SDGs), startups are increasingly poised to leverage Virtual Reality (VR) technology for impactful solutions. This study investigates the synergy between startups and VR in advancing SDG-related challenges, echoing previous assertions on startups' aptitude for SDG endeavors and VR's potential for SDG advancement. Through an exploration of VR's applicability in various domains such as Entertainment, Training, Education, and Tourism, this study unveils compelling use cases aligning with SDG aspects, thus validating the hypothesis on startups' potential to harness VR for SDG contributions. The study employs a customized customer discovery technique, an essential process in the Customer Development methodology, to uncover VR's problem-solution fit, offering practical insights for startup business model development. The implications of these findings extend globally, underlining VR's role in addressing SDG issues and laying a robust foundation for startup ventures. Despite its focus on specific consumer markets and sectors, the study's methodology presents a practical approach applicable to broader technology adoptions.

Given the widespread use of AI language models such as ChatGPT, there is an urgent need 1 to understand their political biases in different languages. This study aims to uncover such biases. To 2 investigate this issue, we applied IDRLabs’ Political Coordinates Test to ChatGPT based on GPT-4 3 in four languages - English, French, German, and Italian. The results confirm previous studies that 4 identified a left-libertarian bias in ChatGPT. There was remarkable consistency in political orientation 5 across all four languages, although minor variations were found. Differences in ChatGPT response 6 distributions across languages could indicate culturally determined differences in interpretation 7 of political questions. The results highlight the need to diversify and optimize data collection and 8 model training methods to ensure greater fairness and neutrality and minimize the influence of bias. 9 Our study highlights the importance of cultural differences in the processing and interpretation of 10 political information by AI models.

Oral drug absorption is the primary route for drug administration. However, this process hinges on multiple factors, including the drug’s physicochemical properties, formulation characteristics, and gastrointestinal physiology. Given its intricacy and the exorbitant costs associated with experimentation, the trial-and-error method proves prohibitively expensive. Theoretical models have emerged as a cost-effective alternative by assimilating data from diverse experiments and theoretical considerations. These models fall into three categories: data-driven models, encompassing classical pharmacokinetics, quantitative-structure models (QSAR), and machine/deep learning. Mechanism-based models include quasi-equilibrium, steady-state, and physiologically based pharmacokinetics, alongside first principles such as molecular dynamics and continuum models. This review provides an overview of recent modeling endeavors across these categories, evaluating their respective advantages and limitations. Additionally, a primer on partial differential equations and their numerical solutions is included in the supplementary materials, recognizing their utility in modeling physiological systems despite their mathematical complexity limiting their widespread application in this field.

The understanding of spatiotemporal variations in reference evapotranspiration (ETo) and its long-term trends is of paramount importance for water cycle studies, modeling, and water resource management, especially in the context of climate change. Therefore, the primary aim of this study is to critically evaluate the performance of various CMIP5 global climate models in simulating the Penman-Monteith reference evapotranspiration and its associated climate variables (maximum and minimum air temperature, incident solar radiation, relative humidity, and wind speed). This evaluation is based on data from nine climate models and 33 automatic meteorological stations (EMA) in the state of Mato Grosso, spanning the period 2007-2020. The statistical metrics used for evaluation include Bias, root mean square error, and Pearson and Spearman correlation coefficients. The projections of the most accurate model were then used to analyze the spatial and temporal changes and trends in ETo under the RCP 2.6, 4.5, and RCP 8.5 scenarios from 2007 to 2100. The HadGEM2-ES model projections indicate static averages similar to current conditions until the end of the century in the RCP 2.6 scenario. However, in the RCP 4.5 and 8.5 scenarios, there is a continuous increase in ETo, with the most significant increase occurring during the dry period (May to September). The areas of the Amazon biome in the north of Mato Grosso exhibit the largest increases in ETo when comparing the observed (2007-2020) and projected (2020-2100) averages. The trend analysis reveals significant changes in ETo and its variables across the state of Mato Grosso in the RCP 4.5 and 8.5 scenarios. In the RCP 2.6 scenario, significant trends in ETo are observed only in the northern Amazon areas. Despite not being observed in all AWSs, the trend analysis of the observed data demonstrates more intense changes in ETo and the existence of the evapotranspiration paradox with an increase in the Cerrado areas and reductions in the Pantanal and southern Amazon areas.

Our paper deals with an advanced statistical tool for the volatility prediction problem in financial (crypto) markets. Firstly, we consider the conventional GARCH involved volatility models. We next extend the corresponding GARCH based forecasting and calculate a specific probability associated with the predicted volatility levels. Since the probability evaluation is based on a stochastic model, we next develop an additional data-driven estimation of this probability. The proposed advanced statistical estimation uses real (historical) market data. The obtained theoretic results for the statistical probability of levels are also discussed in the framework of the integrated volatility concept. A possible application of the established probability estimation to the volatility clustering problem is also mentioned. Our paper includes a concrete practical implementation of the resulting (combined) volatility prediction tool and considers a novel module for trading and volatility estimation in crypto markets recently developed by 1ex Trading Board group in collaboration with the GoldenGate Venture. Moreover, we discuss shortly a possible using of the proposed model based and data-driven volatility prediction methodology in the financial risk management.

The assessment of concrete structures' durability in chlorine environments is significantly impacted by the uncertainty inherent in existing durability models. It introduce an integrated approach for updating these models, based on detection information of existing structures. This approach narrows the gap between theoretical predictions and observed structural durability. Specifically, we refine the probability model of critical chloride content by analyzing steel bar corrosion sample proportions, using Bayesian theory for greater accuracy. The enhanced model enables more reliable life expectancy prediction, forming a solid foundation for maintaining and strengthening existing structures.This method was demonstrated through a case study of a reinforced concrete industrial building with a service life of 12 years.

The well-being and sociability of individuals have always been part of modernity. The development of new technologies that meet these aspirations is receiving increasing attention. Thus, strengthening the desired objectives of these tools and minimizing their undesirable side effects is the subject of a growing commitment. The present contribution aims, in this context, to evaluate and analyze the desired and undesirable effects of the interaction of electromagnetic fields with living tissues in general. This involves routines reinforcing expected functions as well as those controlling and protecting against undesirable effects. First, the interactions of electromagnetic fields with tissues are analyzed, involving their thermal biological effects of desired and undesired exposures. The roles of blood and sap fluids in bio-affected tissues are then analyzed. Secondly, the governing electromagnetic, bio-heat equations, and their coupled solution are studied. Third, the thermal behavior of tissues and the exposure adverse effects are examined. Next, monitoring and defending of the effects of exposures are discussed. This contribution illustrates and discusses mathematical modeling routines based on a generalized interaction of electromagnetic fields with living tissues.

Despite ample warning and significant lead time, global society has not acted sufficiently to combat climate change, and global carbon dioxide emissions are now about 60% higher today than in 1990 [1]. This paper uses marine fisheries as an analog model to compare with the many similar management issues faced with global climate change. Both marine fisheries and global climate change are complex systems that have similar properties that make management very difficult. A simple fishery prototype model is used to educate citizens about similar issues of dynamic complexity found in climate change models. We highlight how our slow reaction time to global climate change can be thought of as a mismatch between our cognitive abilities and the nature of global collective problems. Understanding the history and system structure of marine fisheries can provide insight into managing global climate change. We suggest ways to improve communication between science and citizens for updating mental models and changing climate policy.

This comprehensive review delves into gold market business management, covering historical perspectives, market dynamics, mining models, investment strategies, technology, regulations, global trends, and sustainability. Starting with a historical overview, it traces the gold market's evolution and analyzes supply-demand dynamics, price fluctuations, and geopolitical influences. The article scrutinizes gold mining models, evaluating environmental and social responsibilities, and explores financial management strategies, emphasizing risk and gold's role in portfolios. Examining technology's role, it highlights innovations in exploration, mining, and processing for improved efficiency and sustainability. The regulatory landscape analysis encompasses compliance challenges, environmental regulations, and ethical considerations, emphasizing global impacts. Global market trends are explored, identifying potential opportunities and challenges, offering strategic insights. The review concludes by evaluating sustainability practices, emphasizing environmental conservation, community engagement, and ethical sourcing.

This study aimed to use spatiotemporal tensor data to measure the level of employment quality in China's provinces and analyzed the magnitude and direction of its influencing factors in the spatiotemporal dimension. Taked 30 provinces, autonomous regions and municipalities directly under the central government in China from 2011 to 2020 as the research object, the employment quality evaluation system was constructed from six dimensions of employment environment, employment status, employability, labor remuneration, social security, and labor relations. The employment quality index data was expressed as a three-order high-dimensional tensor spatio-temporal data form, and the employment quality of China's provinces was measured from the spatio-temporal perspective by using principal tensor analysis, and the visual analysis of the development and change process of employment quality was carried out. The spatial autocorrelation analysis of employment quality was carried out, and the time-space dual fixed effect model of the spatial Dubin model was selected to analyze the direction and magnitude of the influence factors of employment quality on itself and its neighboring provinces. The research showed that: (1) The overall level of employment quality in China was not high and the employment quality varies greatly among provinces, and the employment quality development gap among provinces showed a trend of widening. (2) The development of employment quality in western China was relatively fast, while the development of employment quality in central China showed insufficient stamina. (3) Sichuan Province had a strong radiation effect on the development of employment quality in neighboring provinces, and Beijing and Tianjin had a strong siphon effect on the development of employment quality in neighboring provinces. (4) The level of industrialization and informatization promoted the development of employment quality in China's provinces, while the industrial structure had a significant negative effect on the development of employment quality.

Abstract: Integration of Medical Cyber Physical Systems (MCPS) and Internet-of-Medical Devices (IoMT) with conventional hospital networks have facilitated easy and speedy data collection, vertical and horizontal connectedness and collaborations among healthcare providers. Federated identity management (FIM) provides a solution towards the identity management challenge arising from this integration of millions of MCPSs to get personalized care and frictionless experiences for the patients, doctors, and employees. FIM protocols such as OAuth, Security Assertion Markup Language (SAML) are highly susceptible to cyber attacks like theft of barrier token, replay attack, message insertion, and Man-in-Middle attacks. IoMT devices have vulnerabilities in their firmware, operating systems, data encryption, data at store and data transmission. Combined vulnerabilities of FIM framework and IoMT devices creates major cyber risks for the current digital healthcare system. Therefore, a comprehensive and evidenced based cyber risk assessment is an urgent need for a cyber-safe digital health care system that can avoid frequent life threatening situations. This paper proposes a comprehensive and evidenced based cyber risk assessment approach for FIM and IoMT based collaborative digital healthcare systems. The novelty of the proposed approach is that it considers three dimensional vulnerabilities arising from existing IT communication protocols and infrastructure, IoMT and MCPS medical devices, protocols of FIM and their combined impact on hospitals and provides corresponding recommendations of security controls. The proposed approaches combine two industry standards including Cyber Resilience Review (CRR) asset management, NIST SP 800-30 to take advantage of both approaches. We have used a large number of IoMT and MCPS devices from multiple providers for threat modelling and produced evidence based cyber-risks using attack trees and detailed attack sequence diagrams to validate proposed approaches. The corresponding recommendation of security controls will support healthcare professionals and providers significantly for improving both the patient and medical device safety management within the FIM enabled healthcare ecosystem.

With the rapid development of Earth observation and information technology, people are increasingly able to access geospatial models. Geospatial models, based on principles of geography, utilize mathematical, statistical, as well as computer science methods to interpret and predict geographic phenomena. These models can be applied in the fields such as urban planning, environmental protection, traffic management to help decision-makers solve geography-related problems. However, integrating different geospatial models to collaboratively solve complex geographic problems still faces significant obstacles due to heterogeneity in model structure, dependencies, and running modes. In this study, we propose a containerized service-based integration framework for heterogeneous geospatial models (GeoCSIF). GeoCSIF consists of three main components: (1) Model encapsulation. It breaks down complicated geospatial models into independently manageable model units, and builds as unified service packages with a templated constraint method. (2) Model orchestration. It achieves an optimal combination of large-scale models with complex dependencies using a prioritization-based orchestration method. (3) Model publication. It incorporates heuristics into the model scheduling process, which can provide adaptive deployment for different model runs. Finally, a prototype system was developed to validate the effectiveness and progressiveness of GeoCSIF by the integrating process of heterogeneous flood disaster models.

Cardiovascular and cerebrovascular disease incidence has risen mainly due to poor control of preventable risk factors and still constitutes a significant financial and health burden worldwide. ChatGPT is an artificial intelligence language-based model developed by OpenAI. Due to the model’s unique cognitive capabilities beyond data processing and the production of high-quality text, there has been a surge of research interest concerning its role in the scientific community and contemporary clinical practice. To fully exploit ChatGPT's potential benefits and reduce its possi-ble misuse, extreme caution must be taken to ensure its implications ethically and equitably. In this article, we explore the language model's possible applications and limitations while empha-sizing its potential value for diagnosing, managing, and prognosis cardiovascular and cerebro-vascular disease.

Living organisms are active open systems far from thermodynamic equilibrium. The ability to behave actively corresponds to dynamical metastability: minor but supercritical internal or external effects may trigger major substantial actions such as gross mechanical motion, dissipating internally accumulated energy reserves. Gaining selective advantage from beneficial use of activity requires a consistent combination of sensual perception, memorised experience, statistical or causal prediction models, and resulting favourable decisions on actions. This information processing chain originated from mere physical interaction processes prior to life, here denoted as structural information exchange. From there, the self-organised transition to symbolic information processing marks the beginning of life, evolving by novel purposivity of trial-and-error feedback and accumulation of symbolic information. The emergence of symbols and prediction models can be described as a ritualisation transition, a symmetry-breaking kinetic phase transition of the 2^nd kind previously known from behavioural biology. The related new symmetry is the neutrally stable arbitrariness, conventionality or code invariance of symbols with respect to their meaning. The meaning of such symbols is given by the structural effect they ultimately unleash, directly or indirectly, by deciding on which actions to take. The early genetic code represents the first symbols. The genetically inherited symbolic information is the first prediction model for activities sufficient for survival under the condition of environmental continuity, sometimes understood as a “final causality” property of the model.

This study leverages transformer-based models and focuses on data representation strategies in the named entity recognition task, including "single" (one sentence per vector), "merged" (multiple sentences per vector), and "context" (sentences joined with attention to context). Performance analysis reveals that models trained with a single strategy may not perform well on different data representations. A combined training procedure is proposed to address this limitation, using all three strategies to enhance the stability and adaptability of the model. The results of this approach are presented and discussed for various datasets for four languages (English, Polish, Czech, and German), demonstrating the effectiveness of the combined strategy.

In the land use planning framework in the neighbourhood of industrial facilities, the current approach to predicting the consequences of massive toxic gas releases is generally based on Gaussian or integral models. For many years, CFD models have been more and more used in this context, in accordance with the development of High-Performance Computing (HPC). The present paper focuses on harmonizing input data for Atmospheric Transport and Dispersion (AT&D) modelling between the widely used approaches. First, a synthesis of the practice’s harmonization for atmospheric dispersion modelling within the framework of risk assessment is presented. Then, these practices are applied to a large-scale INERIS ammonia experimental release. For illustration purposes, the impact of the proposed harmonization will be evaluated using different approaches: the SLAB model, the FDS model and the Code_Saturne model. The two main focuses of this paper are the adaptation of the source term dealing with a massive release and the wind flow modelling performance using an experimental signal for CFD models inflow. Finally, comparisons between the modelling and experimental results enable checking the consistency of these approaches and reinforce the importance of the input data harmonization for each AT&D modelling approach.

Binarization of degraded documents is an important preprocessing task for various document analysis such as OCR and historical document analysis. Existing studies have applied various convolutional neural network (CNN) models and generative models for document binarization, but they do not show generalized performance for noise that the model has not seen and it suffers from extracting elaborate text strokes. In this paper, to overcome these challenges, we utilize latent diffusion model (LDM), which is known for high-quality image generation model, for the first time in document binarization. By utilizing the iterative diffusion-denoising process in latent space, it shows high-quality cleaned binarized image generation and high generalized performance through using both data distribution and time step while training. Additionally, we apply gated U-Net to the backbone network to preserve text strokes using trainable gating value. Gated convolution can extract elaborate text stroke by allowing the model to focus on text region by combining gating value and feature. Furthermore, we maximize the effectiveness of the proposed model by training it with a combination of LDM loss and pixel-level loss, which is suitable for the model structure. Experiments on H-DIBCO and DIBCO benchmark datasets show that the proposed model outperforms existing methods.

Ledge formation presents a significant challenge in endodontic treatment. Yet, there is still a lack of educational tooth models for hands-on practice. This study aimed to create and evaluate a tooth model for ledge management practice. A natural tooth with curved roots was collected for scientific use under ethics committee approval. Following initial root canal preparation, the tooth was scanned using micro-computed tomography (μCT) and 3D reconstructed. A K-file, created via computer-aided design (CAD), was partly inserted into the root canal wall of the 3D-reconstructed tooth. By subtracting the K-file from the tooth, a tooth model with a root canal ledge was produced. The models were then 3D printed for a hands-on workshop. A seven-item Likert scale questionnaire was administered to 20 postgraduate students and 10 endodontists to assess the model's quality and training effectiveness. The feedback from both students and experts was positive, with no statistically significant differences found between the two groups (p > 0.05). This novel tooth model is expected to address the existing gap in endodontic education and provide benefits for dental practitioners in future applications.

This paper proposes the utilization of large language models as recommendations systems for museums. Since the aforementioned models lack the notion of context, they can’t work with temporal information that is often present in recommendations for cultural environments (e.g. special exhibitions or events). In this respect, the current work aims at enhancing the capabilities of large language models through a fine-tuning process that incorporates contextual information and user instructions. The resulting models are expected to be capable of providing personalized recommendations, aligned with user preferences and desires. More specifically, Generative Pre-trained Transformer 4, a knowledge-based large language model is fine-tuned and turned into a context-ware recommendation system, adapting its suggestions based on user input and specific contextual factors such as location, time of visit, and other relevant parameters. The effectiveness of the proposed approach is evaluated through certain user studies, which ensure an improved user experience and engagement within the museum environment.

According to a recent study by OpenAI, Open Research, and the University of Pennsylvania, large language models (LLMs) based on artificial intelligence (AI), such as Generative Pretrained Transformers (GPTs), may have potential implications on the job market, specifically regarding job occupations that demand writing or programming skills. The research points out Interpreters and Translators as one of the main job occupations with greater exposure to AI in the US job market (76.5%). This article, following a mixed-methods survey-based research, provides insights into the Portuguese Language Service Providers (LSPs) awareness and knowledge about AI, specifically regarding neural machine translation (NMT) and large language models (LLM), its actual use and usefulness, as well as their potential influence on work performance and labour market. The results show that most professionals are unable to identify if AI and/or automation technologies support the tools that are most used in the profession. The usefulness of AI is essentially low to moderate and the professionals who are less familiar with it and less knowledgeable also demonstrate lack of trust in it. Two thirds of the sample estimate negative or very negative effects of AI in the profession, expressing as main concerns the devaluation and replacement of experts, the reduction of income, and the reconfiguration of the career of translator to mere post-editors.

(1) Background. Cognitive impairment in people with Multiple Sclerosis (MS) has been studied in relation to some clinical variables (e.g., motor disability and disease duration) and lifestyle fac-tors such as Cognitive Reserve (CR). However, only very few studies have considered the interac-tion of clinical variables and cognitive reserve in preserving the integrity of the neuropsychologi-cal profile. In this paper, we hypothesised that a higher level of CR might predict good cognitive efficiency by modulating the clinical outcome of the disease. (2) Methods. A sample of 100 partic-ipants with MS (age range 30-74), was recruited and assessed remotely with a questionnaire to measure CR and a cognitive screening test. Data were analysed through Generalized Additive Models. (3) Results. We found that the model analysing the interaction between CR and disease duration, and between CR and motor disability was able to explain a significant percentage of cognitive performance. In particular, higher levels of CR predicted better cognitive performance despite long disease duration, unless the motor disability was severe. (4) Conclusion. This study highlights the crucial role of CR in modulating cognitive efficiency in people with MS.

Crimean-Congo hemorrhagic fever virus (CCHFV), a member of the Nairoviridae family and Bunyavirales order, is transmitted to humans via tick bites or contact with the blood of infected animals. It can cause severe symptoms, including hemorrhagic fever, with a mortality rate between 5 to 30%. CCHFV is classified as a high-priority pathogen by the World Health Organization (WHO) due to its high fatality rate and the absence of effective medical countermeasures. CCHFV is endemic in several regions across the world, including Africa, Europe, the Middle East, and Asia, and has the potential for global spread. The emergence of the disease in new areas, as well as the presence of the tick vector in countries without reported cases, emphasizes the need for preventive measures should be taken. In the past, the lack of a suitable animal model susceptible to CCHFV infection has been a major obstacle in the development of vaccines and treatments. However, recent advances in biotechnology and the availability of suitable animal models have significantly expedited the development of vaccines against CCHF. These advancements have not only contributed to an enhanced understanding of the pathogenesis of CCHF but have also facilitated the evaluation of potential vaccine candidates. This review outlines of the immune response to CCHFV and animal models utilized for the study of CCHFV and highlights the progress made in CCHFV vaccine studies. Despite remarkable advancements in vaccine development for CCHFV, it remains crucial to prioritize continued research, collaboration, and investment in this field.

Friction has long been an important issue in multibody dynamics. Static friction models apply appropriate regularization techniques to convert the stick inequality and the non-smooth stick-slip transition of Coulomb’s approach into a continuous and smooth function of the sliding velocity. However, a regularized friction force is not able to maintain long-term stick. That is why, dynamic friction models were developed in the last decades. The friction force depends herein not only on the sliding velocity but also on internal states. The probably best known representative, the LuGre friction model, is based on a fictitious bristle but realizes a too simple approximation. The recently published second order dynamic friction model describes the dynamics of a fictitious bristle more accurately. Its performance is compared here to stick-slip friction models, developed and launched not long ago by commercial multibody software packages.

Currently, software development is more associated with families of configurable software rather than the single implementation of a product. Due to the numerous possible combinations in a software product line, testing these families of software product lines (SPLs) is a difficult undertaking (SPL). Moreover, the presence of optional features makes the testing of SPLs impractical. Several features are presented in SPLs, but due to the environment's time and financial constraints, these features are rendered unfeasible. Testing subsets of configured products is thus one approach to solving this issue. In order to reduce testing effort and get better results, alternative methods of testing SPLs are required, such as the combinatorial interaction testing (CIT) technique. Unfortunately CIT method produces unscalable solutions for large size SPLs with excessive constraints. The CIT method costs more because of feature combinations. The optimization of the various conflicting testing objectives, such as reducing the cost and configuration number, have also been considered. In this article, we have proposed a search-based software engineering solution using multi-objective optimization algorithms (MOEAs). In particular, the research is applied to different types of MOEA methods; Indicator-Based Evolutionary Algorithm (IBEA), Multi-objective Evolutionary Algorithm based on Decomposition (MOEA/D), Non-Dominated Sorting Genetic Algorithm II (NSGAII), NSGAIII, and Strength Pareto Evolutionary Algorithm 2 (SPEA2). The results of the algorithms are examined in the context of distinct objectives and two quality indicators. The results revealed how feature model attributes, implementation context and the number of objectives affect the performance of the algorithms.

This article provides an overview of multi-fidelity modeling trends. Fidelity in modeling refers to the level of detail and accuracy provided by a predictive model or simulation. Generally, models with higher fidelity deliver more precise results but demand greater computational resources. Multi-fidelity models integrate high-fidelity and low-fidelity models to obtain fast yet accurate predictions. Their growing popularity is due to their ability to approximate high-fidelity models with high accuracy and low computational cost. This work classifies publications in multi-fidelity modeling based on various factors, including application, surrogate selection, fidelity difference, fidelity combination method, field of application, and year of publication. The study also examines the techniques used to combine fidelities, focusing on multi-fidelity surrogate models. To accurately evaluate the advantages of utilizing multi-fidelity models, it is necessary to report the achieved time savings. This paper includes guidelines for authors to present their multi-fidelity-related savings in a standard, succinct, yet thorough way to guide future users. According to a select group of publications that provided sufficient information, multi-fidelity models achieved savings of up to 90% while maintaining the desired level of accuracy. However, the savings achieved through multi-fidelity models depend highly on the problem.

The makeup of human microbiota has been linked to a number of autoimmune disorders. Recent developments in whole metagenome sequencing and 16S rRNA sequencing technology have considerably aided research into the microbiome and its relationship to disease. Due to the inherent high dimensionality and complexity of data generated by high-throughput platforms, conventional bioinformatics techniques could only provide an inadequate explanation for the most relevant changes and seldom provide correct predictions. Machine learning, on the other hand, is a subset of artificial intelligence applications that enable the untangling of high-dimensional systems and intricate knots in correlation by learning complex patterns and improving automatically from training data without being explicitly programmed. Machine learning is increasingly being utilized to research the influence of microbes on the onset of illness and other clinical features since computer power has increased dramatically in the last few decades. In this review paper, we focused on emerging methodological approaches of supervised machine learning algorithms for identification of autoimmune disorders utilizing metagenomics data, as well as the potential benefits and limitations of machine learning models in clinical applications.

Children’s health, development and education cannot be handled separated; they form one process and are profoundly interrelated. This article considers how to ensure children’s physical and mental fitness for school and maintain it once they are there. Rwanda Is a case study of health and development issues which render children unreceptive to education. This is not news to Rwanda’s government, but until recently the donor community was not interested in supporting implementation. The story of Rwanda illustrates the need to think about changes of policy and practice in their context of structures and culture – how they interact and how they are facilitated or constrained by structures and by cultural understandings. To grasp what is going on and for successful implementation of policy, it is necessary to look at situations as a whole and consider human and governmental agency as real influences rather than just consequences of causal mechanisms.

As the era of omics continues to expand, omics-based experiments have become popular in industrial biotechnology. They promise deeper biological understanding, which may be leveraged to develop novel solutions to bioprocess optimization and cell line engineering strategies. Despite this expansion, naivety about what omic data offers and how to best handle such data can challenge the extraction of actionable value. However, the value of omic experiments in biotechnology research and development can be maximized with deliberate application of omic approaches and forethought about analysis techniques. Here we describe important considerations when designing and implementing omic-based experiments, and discuss how systems biology analysis strategies can enhance efforts to obtain actionable insights in biomanufacturing.

A recent paradigm shift in diagnostics of medulloblastoma allows the distinction of four major groups defined by genetic data rather than histology. This new molecular classification correlates better with prognosis and will allow better clinical management for therapies targeting druggable mutations, but also offers a new combination of monitoring tumor development in real-time and treatment response by sequential liquid biopsy. This review highlights recent developments after a century of milestones in neurosurgery, radio- and chemotherapy, but also controversial theories on the cell of origin, animal models and the use of liquid biopsy.

Determining genetic and non-genetic sources of variation in a breed is vital for the formulation of strategies for its conservation and improvement. The present study was aimed at estimating the (co)variance components and genetic parameters of Mecheri sheep by fitting six different animal models in the restricted maximum likelihood method, with a preliminary investigation on the performance of animals for non-genetic sources of variation. A total of 2616 lambs were studied, and varying levels of significance were found for the effect of period, season, parity of dam and birth type on different body weight traits. Direct heritability estimates derived from the best animal model for body weight at birth, 3 months, 6 months, 9 months and 12 months were 0.21, 0.24, 0.10, 0.15 and 0.09, respectively, and maternal heritabilities of the corresponding traits were 0.12, 0.05, 0.04, 0.04 and 0.04, respectively. The genetic correlations between body weight traits were all positive and moderate to strong except for birth weight with the other body weight traits. The significance of non-genetic factors studied in this work demanded a correction to improve the accuracy of the direct selection of lambs for body weight traits. The estimated genetic parameters identified the weaning weight as a selection criterion for the improvement in body weight of Mecheri lambs at different ages. Inbred individuals accounted for approximately 13% of the total population in the Mecheri sheep population studied. There were 877 founders in the population, and the actual effective size of the population was 128.48. The population's mean generation interval was 3.26. The mean inbreeding values ranged from 0.005 to 0.010 across generations. The population's average relatedness ranged from 0.001 to 0.014 across generations. Individual inbreeding was found to be 0.45 per cent for the entire population and 3.4 per cent for the inbred population.

This paper presents a novel theoretical and computational methodology for the generation of an onset turbulent field with prescribed properties in the numerical simulation of an arbitrary viscous flow. The methodology is based on the definition of a suitable distribution of volume force terms in the right–hand side of the Navier–Stokes equations. The distribution is represented by harmonic functions that are randomly variable in time and space. The intensity of the distribution is controlled by a simple PID strategy in order to obtain that the generated turbulent flow matches a prescribed turbulence intensity. A further condition is that a homogeneous isotropic flow is es- tablished downstream of the region where volume force terms are imposed. Although it is general, the proposed methodology is primarily intended for the computational modelling of hydrokinetic turbines in turbulent flows representative of tidal or riverine installations. A first numerical applica- tion is presented by considering the injection of homogeneous and isotropic turbulence with 16% intensity into a uniform unbounded flow. The analysis of statistical properties as auto-correlation, power spectral density, probability density functions, demonstrates that the generated flow tends to achieve satisfactory levels of stationarity and isotropy, whereas the simple control strategy used determines overestimated turbulent intensity levels.

The main target of this study was to evaluate the impact of future climate change on the available surface water resources in the Dhidhessa Sub-basin, Abbay Basin, Ethiopia. For the prediction, high-resolution Regional Climate Models (RCMs) from multiple climate models with data from Representative Concentration Pathways (RCPs) prepared by the CCAFS were used. The predictions of future discharge (stream flow) were based on climate scenarios data of baseline period of 1991 to 2020 and for the future with two time windows, 2044 (2030–2059) and 2084 (2070–2099), on a monthly time step after bias correction was conducted to both precipitation and temperature in the future climate under each RCP scenario. After sensitivity analysis, calibration (1994–2011), and validation (2012–2020) of the model for the Dhidhessa Sub-basin with the SUFI-2 program in the SWAT-CUP model, the SWAT model was used to determine water balance and stream flow from the SWAT model system. The SWAT model performed well in predicting stream flow in the Dhidhessa Sub-basins, with a coefficient of determination (R2) ranging from 0.8 to 0.94 and a Nash Sutcliffe value (NSE) ranging from 0.76 to 0.89. The percent decrease in mean annual stream flow from 2044 and 2084 were 10 %, in 2044, and 6.3% in 2084 respectively. The seasonal result under short-term 2044 of stream flow present change significantly decreased in spring, winter, and autumn with 20.2%, 67.4%, and 67.4% respectively. While summer season increased by 43.1%, under short-term 204. In long-term 2084 percent change declined except summer seasons, with 14.7%, 58.1%, and 3.3%, change in spring, winter, and autumn, respectively, and summer, with 51.1% increased and With RCP4.5 (1.64%) and RCP8.5 (2.1%) changed. In the future Dhidhessa stream flow increases and decreases from the baseline era. The decreasing stream flow in 2044 and 2084 will negatively affect agricultural production. This study revealed that any effect on this river resulting in a drop in flow will have a direct impact on ongoing water resource development and socio-economic development of the area.

Nations of the world have seen unprecedented changes in climate variables in recent decades. But it is unclear to what extent climate change has impacted and will impact food systems in some developing regions, and how policymakers can frame an approach to encouraging adaptation and advancing climate-smart agriculture. Many studies attempting to link agroecology to climate change adaptation do so without understanding the potential of Agroecology not only to mitigate climate change – which is the weak response – but to reverse its impact and ‘climate proof’ our food systems. By modeling the near and far future impacts of climate change on crop production, we showed how climate will impact crop production under two crop production systems (agroecology and non-agroecology production systems). The overarching aim is to derive sustainable development strategies and lessons for policymakers and climate researchers - essential components of environment and Agricultural development. Using case studies from Nigeria, we observed that transitioning to agroecology, even at the farm level also transforms farm designs, thereby affecting their overall food and nutrition status. The result showed that the use of agroecology management practices not only reduces the impact of climate change in the near future but will also lead to increased crop yield in the future. The finding suggests that to feed the over 400 million projected population of Nigeria by 2050, the use of agroecological practices will be a better alternative to the conventional farming methods. To advance the use of agroecological farming methods, governments at every level in Nigeria need to mainstream organic agriculture in national government policies. This is important as it will not only address climate change impacts but also hunger and poverty.

Many complex networks have a connectivity that might be only partially detected or that tends to grow over time, hence the prediction of non-observed links is a fundamental problem in network science. The aim of topological link prediction is to forecast these non-observed links by only exploiting features intrinsic to the network topology. It has a wide range of real applications, like suggesting friendships in social networks or predicting interactions in biological networks.The Cannistraci-Hebb theory is a recent achievement in network science that includes a theoretical framework to understand local-based link prediction on paths of length n. In this study we introduce two innovations: theory of modelling (science) and theory of realization (engineering). For the theory of modelling we first recall a definition of network automata as a general framework for modelling the growth of connectivity in complex networks. We then show that several deterministic models previously developed fall within this framework and we introduce novel network automata following the Cannistraci-Hebb rule. For the theory of realization, we present how to build adaptive network automata for link prediction, which incorporate multiple deterministic models of self-organization and automatically choose the rule that better explains the patterns of connectivity in the network under investigation. We compare Cannistraci-Hebb adaptive (CHA) network automaton against state-of-the-art link prediction methods such as structural perturbation method (SPM), stochastic block models (SBM) and artificial intelligence algorithms for graph embedding. CHA displays an overall higher link prediction performance across different evaluation frameworks on 1386 networks. Finally, we highlight that CHA offers the key advantage to explicitly explain the mechanistic rule of self-organization which leads to the link prediction performance, whereas SPM and graph embedding not. In comparison to CHA, SBM unfortunately shows irrelevant and unsatisfactory performance demonstrating that SBM modelling is not adequate for link prediction in real networks.

Manual visual inspections typically conducted after an earthquake are high-risk, subjective, and time-consuming. Delays from inspections often exacerbate the social and economic impact of the disaster on affected communities. Rapid and autonomous inspection using images acquired from unmanned aerial vehicles offer the potential to reduce such delays. Indeed, a vast amount of re-search has been conducted toward developing automated vision-based methods to assess the health of infrastructure at the component and structure level. Most proposed methods typically rely on images of the damaged structure, but seldom consider how the images were acquired. To achieve autonomous inspections, methods must be evaluated in a comprehensive end-to-end manner, incorporating both data acquisition and data processing. In this paper, we leverage recent advances in computer generated imagery (CGI) to construct a 3D synthetic environment for simulation of post-earthquake inspections that allows for comprehensive evaluation and valida-tion of autonomous inspection strategies. A critical issue is how to simulate and subsequently render the damage in the structure after an earthquake. To this end, a high-fidelity nonlinear finite element model is incorporated in the synthetic environment to provide a representation of earthquake-induced damage; this finite element model, combined with photo-realistic rendering of the damage, is termed herein a physics-based graphics models (PBGM). The 3D synthetic en-vironment with PBGMs provide a comprehensive end-to-end approach for development and validation of autonomous post-earthquake strategies using UAVs, including: (i) simulation of path planning of virtual UAVs and image capture under different environmental conditions; (ii) au-tomatic labeling of captured images, potentially providing an infinite amount of data for training deep neural networks; (iii) availability of the ground truth damage state from the results of the finite-element simulation; and (iv) direct comparison of different approaches to autonomous as-sessments. Moreover, the synthetic data generated has the potential to be used to augment field datasets. To demonstrate the efficacy of PBGMs, models of reinforced concrete moment-frame buildings with masonry infill walls are examined. The 3D synthetic environment employing PBGMs is shown to provide an effective testbed for development and validation of autonomous vision-based post-earthquake inspections that can serve as an important building block for ad-vancing autonomous data to decision frameworks.

For any molecule, network, or process of interest, to keep up with new publications on these, is becoming increasingly difficult. For many cellular processes, molecules and their interactions that need to be considered can be very large. Automated mining of publications can support large scale molecular interaction maps and database curation. Text mining and Natural Language Processing (NLP)-based techniques are finding their applications in mining the biological literature, handling problems such as Named Entity Recognition (NER) and Relationship Extraction (RE). Both rule-based and machine learning (ML)-based NLP approaches have been popular in this context, with multiple research and review articles examining the scope of such models in Biological Literature Mining (BLM). In this review article, we explore self-attention based models, a special type of neural network (NN)-based architectures that have recently revitalized the field of NLP, applied to biological texts. We cover self-attention models operating either at a sentence level or an abstract level, in the context of molecular interaction extraction, published from 2019 onwards. We conduct a comparative study of the models in terms of their architecture. Moreover, we also discuss some limitations in the field of BLM that identifies opportunities for the extraction of molecular interactions from biological text.

Since December 2019, the coronavirus disease (COVID-19) has rapidly spread worldwide. The Mexican government has implemented public safety measures to minimize the spread of the virus. In this paper, the authors use statistical models in two stages to estimate the total number of coronavirus (COVID-19) cases per day at the state and national level in Mexico. Two types of models are proposed: first, a polynomial model of the growth for the first part of the outbreak until the inflection point of the pandemic curve and then a second nonlinear growth model is used to estimate the middle and the end of the outbreak. Model selection will be performed using Vuong’s test. The proposed models show overall fit similar to predictive models (e.g. time series, and machine learning); however, the interpretation of parameters is less complex for decision-makers and the residuals follow the expected distribution when fitting the models without autocorrelation being an issue.

River regulations ultimately degrade fluvial forms and morphodynamics and simplify riparian and aquatic habitats. For several decades, river restoration actions have been performed to recover geomorphic processes and diversify these habitats to enhance both river biodiversity and ecosystem services. The objective of this study is to provide quantitative feedback on the experimental restoration of a large regulated and by-passed river (the Upper Rhine downstream of the Kembs Dam, France/Germany). This restoration consisted of the construction of two transverse groynes and the removal of bank protection. A monitoring framework composed of topo-bathymetric surveys as well as flow velocity and grain size measurements was established to assess the channel morphodynamic responses and evaluate their effects on habitat suitability for five native fish species using habitat models. A riverscape approach was used to evaluate the landscape changes in terms of both the configuration and the composition, which cannot be considered with classic approaches (e.g., WUA). Our results show that the two transverse groynes and, to a lesser extent, bank erosion, which was locally enhanced by the two groynes, increased habitat diversity due to the creation of new macroforms (e.g., pools and mid-bars) and fining of the bed grain size. Using a riverscape approach, our findings highlight that the restoration improved lentic fish habitats (eel and juvenile nase species) due to slowing of the local current and the deposition of fine sediments downstream of both groynes. As a consequence, the restoration improved the habitat suitability of the studied reach for more fish species compared with the pre-restoration conditions. This study also demonstrates that the salmon habitats downstream of the restored reach were improved due to fining of the bed grain size. This finding highlights that for restorations aimed at fish habitats, the grain size conditions must be taken into consideration along with the flow conditions. Furthermore, the implementation of groynes, while not a panacea, can be a strategy for improving fish habitats on highly regulated rivers, but only when more functional and natural options are impossible due to major constraints.

This paper investigates the contribution of business model innovations in improvement of food supply chains. Through a systematic literature review, the notable business model innovations in the food industry are identified, surveyed, and evaluated. Findings reveal that the innovations in value proposition, value creation processes, and value delivery processes of business models are the successful strategies proposed in food industry. It is further disclosed that rural female entrepreneurs, social movements, and also urban conditions are the most important driving forces inducing the farmers to reconsider their business models. In addition, the new technologies and environmental factors are the secondary contributors in business model innovation for the food processors. It is concluded that digitalization has disruptively changed the food distributors models. E-commerce models and internet of things are reported as the essential factors imposing the retailers to innovate their business models. Furthermore, the consumption demand and the product quality are two main factors affecting the business models of all the firms operating in the food supply chain regardless of their positions in the chain. The findings of the current study provide an insight into the food industry to design a sustainable business model to bridge the gap between food supply and food demand.

The Reeler mutation was described in mouse more than fifty year ago. Later, its causative gene (reln) was discovered in mouse, and its human orthologue (RELN) was demonstrated to be causative of lissencephaly 2 (LIS2) and about 20% of the cases of autosomal-dominant lateral temporal epilepsy (ADLTE). In both human and mice the gene encodes for a glycoprotein referred to as Reelin (Reln) that plays a primary role in neuronal migration during development and synaptic stabilization in adulthood. Besides LIS2 and ADLTE, RELN and/or other genes coding for the proteins of the Reln intracellular cascade have been associated more or less substantially to other conditions such as spinocerebellar ataxia type 7 and 37, VLDLR-associated cerebellar hypoplasia, PAFAH1B1-associated lissencephaly, autism and schizophrenia. According to their modalities of inheritances and with substantial differences among each other, these neuropsychiatric disorders can be modeled in the homozygous (reln-/-) or heterozygous (reln+/-) mouse. The usefulness of these mice as translational models is discussed, with focus on their construct and face validity. The latter is mainly treated directing the attention to the histological, neurochemical and functional observations in the cerebral cortex, hippocampus and cerebellum of Reeler mice and their human counterparts.

The quality of digital elevation models (DEMs) is inevitably affected by the limitations of the imaging modes and the generation methods. One effective way to solve this problem is to merge the available datasets through data fusion. In this paper, a fusion-based global DEM dataset (82°S-82°N) is introduced, which we refer to as GSDEM-30. This is a 30-m DEM mainly reconstructed from the unfilled SRTM1, AW3D30, and ASTER GDEM v2 datasets combining the multi-source and multi-scale fusion techniques. A comprehensive evaluation of the GSDEM-30 data, as well as the 30-m ASTER GDEM v2 and AW3D30 DEM, was presented. Global ICESat GLAS data and the local National Elevation Dataset (NED) were used as the reference for the vertical accuracy validation, while GlobeLand30 was introduced for the landscape analysis. Furthermore, we employed the maximum slope approach to detect the potential artefacts in the DEMs. The results show that the GDEM data are seriously affected by noise and artefacts. With the advantage of the multiple datasets and the refined post-processing, the GSDEM-30 are contaminated with fewer anomalies than both ASTER GDEM and AW3D30. The fusion techniques used can also be applied to the reconstruction of other fused DEM datasets.

In terrain analysis and hydrological modeling, surface depressions (or sinks) in a digital elevation model (DEM) are commonly treated as artifacts and thus filled and removed to create a depressionless DEM. Various algorithms have been developed to identify and fill depressions in DEMs during the past decades. However, few studies have attempted to delineate and quantify the nested hierarchy of actual depressions, which can provide crucial information for characterizing surface hydrologic connectivity and simulating the fill-merge-spill hydrological process. In this paper, we present an innovative and efficient algorithm for delineating and quantifying nested depressions in DEMs using the level-set method based on graph theory. The proposed level-set method emulates water level decreasing from the spill point along the depression boundary to the lowest point at the bottom of a depression. By tracing the dynamic topological changes (i.e., depression splitting/merging) within a compound depression, the level-set method can construct topological graphs and derive geometric properties of the nested depressions. The experimental results of two fine-resolution LiDAR-derived DEMs show that the raster-based level-set algorithm is much more efficient (~150 times faster) than the vector-based contour tree method. The proposed level-set algorithm has great potential for being applied to large-scale ecohydrological analysis and watershed modeling.

There is need to accurately design pipelines to transport the expected increase of CO₂ captured from industrial processes after the signing of the Paris Climate Agreement in 2016. This paper reviews several aspects of CO₂ pipeline design with emphasis on pressure drop and models for the calculation of pipeline diameter. Two categories of pipeline equations were identified. The first category is independent of pipeline length and has two different equations. This category is used to specify adequate pipeline diameter for the volume of fluid transported. The optimum economic pipe diameter equation (Eq. 17) with nearly uniform resultant velocity values at different flow rates performed better than the standard velocity flow equation (Eq. 20). The second category has four different equations and is used to calculate pipeline pressure drop or pipeline distance for the installation of booster stations after specifying minimum and maximum pipeline pressures. The hydraulic equation is preferred because it gave better resultant velocity values and the closest diameter value obtained using Aspen HYSYS (V.10) simulation. The effect of impurities on the pressure behaviour and optimal pipeline diameter and pressure loss due to acceleration were ignored in the development of the models. Further work is ongoing to incorporate these effects into the models.

A computational methodology for the hydrodynamic analysis of horizontal axis marine current turbines is presented. The approach is based on a boundary integral equation method for inviscid flows originally developed for marine propellers and adapted here to describe the flow features that characterize hydrokinetic turbines. To this purpose, semi-analytical trailing wake and viscous-flow correction models are introduced. A validation study is performed by comparing hydrodynamic performance predictions with two experimental test cases and with results from other numerical models in the literature. The capability of the proposed methodology to correctly describe turbine thrust and power over a wide range of operating conditions is discussed. Viscosity effects associated to blade flow separation and stall are taken into account and predicted thrust and power are comparable with results of blade element methods that are largely used in the design of marine current turbines. The accuracy of numerical predictions tend to reduce in cases where turbine blades operate in off-design conditions.

Wave steepness is presented as an extension and a valuable add-on to the conventional set of sea state parameters retrieved from satellite altimetry data. Following physical model based on recent advances of weak turbulence theory wave steepness is estimated from directly measured spatial gradient of wave height. In this way the method works with altimetry trajectories rather than with point-wise data. Moreover, in contrast to widely used parametric models this approach provides us with instantaneous values of wave steepness and period. Relevance of single-track estimates of wave steepness (period) is shown for wave climate studies and confirmed by a simple probabilistic model. The approach is verified via comparison against buoy and satellite data including crossover points for standard 1 second data of Ku-band altimeters. High quality of the physical model and robustness of the parametric ones are examined in terms of global wave statistics. Prospects and relevance of both approaches in the ocean wave climate studies are discussed.

This paper is aimed at studying the temporal evolution of the surface displacements occurred over the past few years in the ocean-reclaimed platforms of the Shanghai megacity (China), which are mainly ascribable to consolidation processes of large dredger fills and alluvial deposits. With respect to previous analyses carried out over the same area, this work provides a joint multi-platform differential interferometry synthetic aperture radar (DInSAR) analysis, based on the application of the advanced Small BAseline Subset (SBAS) algorithm. This led us to retrieve long-term deformation time-series that are helpful for a better understanding of the on-going deformation phenomena. To this aim, we have exploited two sequences of SAR data collected by the ASAR/ENVISAT and by the COSMO-SkyMed (CSK) sensors, respectively, spanning the whole time period from 2007 to 2016. Unfortunately, the large time gap (of about three years) existing between the available ASAR/ENVISAT and CSK datasets gave rise to additional difficulties for their combination. Nevertheless, this problem has been faced by benefiting from the knowledge of a time-dependent model describing the temporal evolution of the expected deformations affecting the Shanghai ocean-reclaimed platforms.

Glioblastoma (GBM) presents a significant public health challenge as the deadliest and most common malignant brain tumor in adults. Despite standard-of-care treatment, which includes surgery, radiation, and chemotherapy, mortality rates are high, underscoring the critical need for advancing GBM therapy. Over the past two decades, numerous clinical trials have been performed, yet only a small fraction demonstrated benefit, raising concerns about the predictability of current preclinical models. Traditionally, preclinical studies utilize treatment-naïve tumors, failing to model the clinical scenario where patients undergo standard-of-care treatment prior to recurrence. Recurrent GBM generally exhibits distinct molecular alterations influenced by treatment selection pressures. In this review, we discuss the impact of treatment - surgery, radiation, and chemotherapy - on GBM. We also provide a summary of treatments used in preclinical models, advocating for their integration to enhance the translation of novel strategies to improve therapeutic outcomes in GBM.

Gradients of smooth functions with non-independent variables are relevant for exploring complex models and for the optimization of functions subjected to constraints. In this paper, we investigate new and simple approximations and computations of such gradients by making use of independent, central and symmetric variables. Such approximations are well-suited for applications in which the computations of the gradients are too expansive or impossible. The derived upper-bounds of the biases of our approximations do not suffer from the curse of dimensionality for any $2$-smooth function, and theoretically improve the known results. Also, our estimators of such gradients reach the optimal (mean squared error) rate of convergence (i.e., $\mathcal{O}(N^{-1})$) for the same class of functions. Numerical comparisons based on a test case and a high-dimensional PDE model show the efficiency of our approach.

This study assesses the predictive performance of six machine learning models in forecasting tumor dynamics within three months following Gamma Knife Radiosurgery (GKRS) in 77 brain metastasis (BM) patients. The analysis meticulously evaluates each model before and after hyperparameter tuning, utilizing accuracy, AUC and other metrics derived from confusion matrices. Initial findings highlighted that XGBoost significantly outperformed other models with an accuracy of 0.95 and an AUC of 0.95 before tuning. Post-tuning, the Support Vector Machine (SVM) demonstrated the most substantial improvement, achieving an accuracy of 0.98 and an AUC of 0.98. Conversely, XGBoost showed a decline in performance after tuning, indicating potential overfitting. The study also explores feature importance across models, noting that features like “control at one year”, “age of the patient”, and “beam on time for volume V1 treated”, were consistently influential across various models, albeit their impacts were interpreted differently depending on the model’s underlying mechanics. This comprehensive evaluation not only underscores the importance of model selection and hyperparameter tuning but also highlights the practical implications in medical diagnostic scenarios, where the accuracy of positive predictions can be crucial.

Background: In today’s competitive market, predicting customer churn with high accuracy is crucial for enterprises to maintain growth and profitability. Traditional predictive models often lack in accuracy due to the complexity of customer behavior.Objective: This research aims to improve the accuracy of predicting customer churn by utilizing the Particle Swarm Optimization (PSO) algorithm for optimizing the hyperparameters of a composite deep learning model. The performance of this enhanced model is evaluated against traditional models such as LSRM_GRU, LSTM, GRU, and CNN_LSTM to demonstrate the effectiveness of PSO in hyperparameter tuning.Methods: A composite deep learning approach was employed, integrating various neural network architectures to leverage their strengths in modeling complex customer interactions. The PSO algorithm was used to optimize the model’s hyperparameters. Customer transaction and interaction data from different business operations served as the dataset for testing and analyzing the model’s performance. Evaluation metrics including accuracy, precision, recall, F1 score, and ROC AUC were utilized for a detailed comparison with established models.Findings: The PSO-enhanced composite deep learning model showed superior performance across all metrics, significantly outperforming the LSRM_GRU, LSTM, GRU, and CNN_LSTM models. Notably, improvements in ROC AUC and F1 score highlight the robustness and balanced precision-recall trade-off of the proposed model, demonstrating its effectiveness in identifying potential churners.Conclusion: The integration of PSO for hyperparameter optimization in composite deep learning models for customer churn prediction has proven to significantly enhance predictive accuracy and performance metrics over conventional models. This underscores the potential of evolutionary algorithms in improving deep learning applications. Future research should explore the scalability of this approach across various sectors and further refine predictive accuracy with evolving customer data.

In the text, the synthesis and characteristics of the novel ONS-type vanadium(V) complexes with thioanilide derivatives of amino acids are described. They have shown inhibition of human protein tyrosine phosphatases (PTP1B, LAR, SHP1 and SHP2) in the submicromolar range, as well as inhibition of non-tyrosine phosphatases (CDC25A and PPA2) similar to bis(maltolato)oxovanadium(IV)(BMOV). The ONS complexes increased [14C]-deoxy-D-glucose transport into C2C12 myocytes, and one of them, VC070, also enhanced this transport in 3T3-L1 adipocytes. These complexes inhibited gluconeogenesis in hepatocytes HepG2, but none of them decreased lipid accumulation in the non-alcoholic fatty liver disease model using the same cells. Compared to the tested ONO-type vanadium complexes with 5-bromosalicylaldehyde and substituted benzhydrazides as Schiff base ligand components, the ONS complexes revealed stronger inhibition of protein tyrosine phosphatases, but the ONO complexes showed greater activity in the cell models in general. Moreover, the majority of the active complexes from both groups showed better effects than VOSO4 and BMOV. Complexes from both groups activated AKT and ERK signaling pathways in hepatocytes to a comparable extent. One of the ONO complexes, VC068, showed activity in all of the above models, also including glucose utilization in the myocytes and glucose transport in insulin-resistant hepatocytes. The discussion section explicates the results within the wider scope of the knowledge about vanadium complexes.

Growth environment greatly alters many facets of pathogen physiology, including pathogenesis and antimicrobial tolerance. The importance of host-mimicking environments for attaining an accurate picture of pathogen behaviour is widely recognised. Whilst this recognition has translated into the extensive development of artificial cystic fibrosis (CF) sputum medium, attempts to mimic the growth environment in other respiratory disease states have been completely neglected. The composition of the airway surface liquid (ASL) in different pulmonary diseases is far less well characterised than CF sputum, making it very difficult for researchers to model these infection environments. In this review we discuss the components of human ASL, how different lung pathologies affect ASL composition, and how different pathogens interact with these components. This will provide researchers interested in mimicking different respiratory environments with the information necessary to design a host-mimicking medium, allowing for better understanding of how to treat pathogens causing infection in these environments.

Estimating Visual Quality of Street Space (VQoSS) is pivotal for urban design, environmental sustainability, civic engagement, etc. Recent advancements, notably in deep learning, have enabled large-scale analysis. However, traditional deep learning approaches are hampered by extensive data annotation requirements and limited adaptability across diverse VQoSS tasks. Multimodal Large Language Models (MLLMs) have recently demonstrated proficiency in various computer vision tasks, positioning them as promising tools for automated VQoSS assessment. In this paper, we pioneer the application of MLLMs to VQoSS change estimation, with our empirical findings affirming their effectiveness. In addition, we introduce Street Quality GPT (SQ-GPT), a model that distills knowledge from the current most powerful but inaccessible (not free) GPT-4, requiring no human efforts. SQ-GPT approaches GPT-4’s performance and is viable for large-scale VQoSS change estimation. In a case study of Nanjin, we showcase the practicality of SQ-GPT and knowledge distillation pipeline. Our work promises to be a valuable asset for future urban studies research.

Eutrophication is a major environmental issue with many negative consequences, such as hypoxia and harmful cyanotoxins production. Monitoring coastal eutrophication is a crucial, especially for island countries like the Republic of Cyprus, which are economically dependent on the touristic sector. Additionally, the open-sea aquaculture industry in Cyprus has been exhibiting an increase in the last decades and environmental monitoring to identify possible signs of eutrophication is mandatory according to the legislation. Therefore, in this modelling study, two different types of Artificial Neural Networks (ANNs) are developed based on in situ-data collected from stations located in the coastal waters of Cyprus. Theses ANNs aim to model the eutrophication phenomenon based on two different data-driven modelling procedures. Firstly, the self-organizing map (SOM) ANN examines several water quality parameters (specifically water temperature, salinity, nitrogen species, ortho-phosphates, dissolved oxygen and electrical conductivity) interactions with the Chlorophyll-a parameter. The SOM model enables us to visualize the monitored parameters relationships and to comprehend complex biological mechanisms related to Chlorophyll-a production. A second feed-forward ANN model is also developed for predicting the Chlorophyll-a levels. Based on this ANN model, several scenarios associated to the eutrophication-related water quality parameters can be extracted. The combination of these two ANNs models is considered a holistic modelling approximation for the identification of eutrophication scenarios, since it enables not only the prediction of the Chlorophyll-a parameter levels, but also the “capturing” of hidden biological mechanisms associated with algal production.

Top-down models are defined by hardware architects to provide information on the utilization of the different hardware components. The target is to isolate the users from the complexity of the hardware architecture while giving them insight into how efficiently the code is using the resources. In this paper, we explore the applicability of 4 top-down models defined for different hardware architectures powering state-of-the-art HPC clusters (Intel Skylake, Fujitsu A64FX, IBM Power9, and Huawei Kunpeng 920) and propose a model for AMD Zen 2. We study a parallel CFD code used for scientific production to compare these 5 Top-Down models. We evaluate the level of insight achieved, the clarity of the information, the ease of use, and the conclusions that each one allows us to reach.

Lactic acid bacteria (LAB) have an extracellular proteolytic system that includes a multi-domain, cell envelope protease (CEP) with a subtilisin homologous protease domain. These CEPs have different proteolytic activities despite having similar protein sequences. Structural characterization has previously been limited to CEP homologs of dairy and human derived LAB strains, excluding CEPs of plant derived LAB strains. CEP structures are a challenge to determine experimentally due to their large size and attachment to the cell envelope. This study aims to clarify the prevalence and structural diversity of CEPs by using the structure prediction software AlphaFold 2. Domain boundaries are clarified based on a comparative analysis of 21 three-dimensional structures, revealing novel domain architectures of CEP homologs that are not necessarily restricted to specific LAB species or ecological niches. The C-terminal flanking region of the protease domain is divided into fibronectin type-III-like domains with various structural traits. The analysis also emphasizes the existence of two distinct domains for cell envelope attachment that are preceded by an intrinsically disordered cell wall spanning domain. The domain variants and their combinations provide CEPs with different stability, proteolytic activity and potentially adhesive properties, making CEPs targets for steering proteolytic activity with relevance for both food development and human health.

Employing numerical methods to simulate manufacturing processes and study their influential factors is increasing. The development of computers and engineering software has increased the ability and accuracy of numerical methods in simulating various aspects of different processes. One of the manufacturing processes that has been considered by many industries in recent years to join metals in solid-state with unique properties is called friction stir welding. It is challenging and, in some cases, impossible to experimentally study the various aspects of this process, such as temperature distribution, stress distribution, and material flow, due to severe plastic deformation in the weld zone. In this case, numerical methods are used to investigate these parameters and better understand the process. This study first investigates various numerical methods researchers use to simulate the process. The ability, pros, and cons of these methods to simulate the process are also examined. Then, the applications of numerical models in simulating the temperature distribution during the process as well as the effects of input parameters on the temperature history of the process, are deeply considered. Next, the application of numerical methods in material flow modeling during the process is investigated. Finally, the modeling of the microstructure of the welding zone is investigated using numerical methods that help significantly in predicting the weld microstructure.

The disruptive application of ChatGPT (GPT-3.5, GPT-4) to a variety of domains has become a topic of much discussion in the scientific community and society at large. Large Language Models (LLMs), e.g., BERT, Bard, Generative Pre-trained Transformers (GPTs), LLaMA, etc., have the ability to take instructions, or prompts, from users and generate answers and solutions based on very large volumes of text-based training data. This paper assesses the impact and potential impact of ChatGPT on the field of digital forensics, specifically looking at its latest pre-trained LLM, GPT-4. A series of experiments are conducted to assess its capability across several digital forensic use cases including artefact understanding, evidence searching, code generation, anomaly detection, incident response, and education. Across these topics, its strengths and risks are outlined and a number of general conclusions are drawn. Overall this paper concludes that while there are some potential low-risk applications of ChatGPT within digital forensics, many are either unsuitable at present, since the evidence would need to be uploaded to the service, or they require sufficient knowledge of the topic being asked of the tool to identify incorrect assumptions, inaccuracies, and mistakes. However, to an appropriately knowledgeable user, it could act as a useful supporting tool in some circumstances.

Physics-informed neural networks are a promising method to yield surrogate models of flow fields. We present a metamodeling technique for variable geometries based on physics-informed neural networks. The method was applied to the DU99W350 airfoil at a Reynolds number of 1×10⁵. The model predicted the Reynolds-averaged velocity and pressure field around the airfoil for arbitrary angles of attack between 10.0° and 17.5°. The model was trained with data from CFD simulations for a limited set of angles of attack. Additionally, satisfaction of the a priori known boundary conditions as well as the Reynolds-averaged Navier-Stokes equations were trained. A sensitivity analysis concerning the Reynolds number, the amount and distribution of training data, and the turbulence model was conducted showing the superiority of the pseudo-Reynolds stress method and the demand of labeled training data in the domain. The trained network was capable of predicting the developing flow separation on the suction surface and exhibited excellent agreement with CFD results even in the proximity to the wall for interpolations as well as extrapolations from the labeled data set.

Global models have been developed to tackle the challenge of forecasting sets of series that are related or share similarities, but not for heterogeneous datasets. Various methods of partitioning by relatedness have been introduced to enhance the similarities of the set, resulting in improved forecasting accuracy but often at the cost of a reduced sample size, which could be harmful. To shed light on how the relatedness between series impacts the effectiveness of global models in real-world demand forecasting problems we perform an extensive empirical study using the M5 competition dataset. We examined cross-learning scenarios driven by the product hierarchy commonly employed in retail planning, which allow global models to capture interdependencies across products and regions more effectively. Our findings show that global models outperform state-of-the-art local benchmarks by a considerable margin, indicating that they are not inherently more limited than local models and can handle unrelated time series data effectively. The accuracy of data partitioning approaches increases, as the size of the data pools and the models' complexity decrease. However, there is a trade-off between data availability and data relatedness. Smaller data pools lead to increased similarity among time series, making it easier to capture cross-product and cross-region dependencies, but this comes at the cost of a reduced sample, which may not be beneficial. Finally, it's worth noting that the successful implementation of global models for heterogeneous datasets can significantly impact forecasting practice.

Purpose Prospective life cycle assessment (pLCA) is a key method for providing environmental decision support for future technologies. The specific technology under study is often modeled by the practitioner (the so-called foreground system), whereas data for supply chains are sourced from life cycle inventory databases (the so-called background system). Within pLCA, it is paramount to consider possible future developments for both foreground and background systems to avoid a temporal mismatch between the specific technology under study and the wider economy, which could lead to incorrect conclusions. Therefore, and given the importance of future-oriented environmental decision support, efforts to develop prospective life cycle inventory (pLCI) databases have recently increased. However, there is still much to be improved to realize the widespread use of these databases and to have a stronger real-world effect on how future technology is designed. Methods This paper summarizes recent developments and structures the information chain behind pLCI databases. We then discuss conditions for the broad application of pLCI databases, and we propose priorities and ways forward to overcome existing challenges to foster the use of pLCI databases. Results The conditions are scientific integrity, usefulness to LCA practitioners, accessibility, usability, interpretability, and a continuous improvement process in which core stakeholders coordinate efforts to streamline the generation, sharing, and use of pLCI databases. Conclusions Priority should be given to installing a continuous process to improve the coverage and consistency of pLCI databases, to improve related guidance and documentation, and to remove practical barriers relating to the access and usability of pLCI databases in LCA software.

Ion channels are integral membrane proteins that facilitate the movement of ions across cell membranes, playing a key role in a range of biological processes. The high cost and time required for wet lab experiments to characterize ion channels has spurred the development of computational methods for this purpose. In our previous work, we demonstrated the effectiveness of protein language models for ion channel prediction, using a logistic regression classifier to distinguish ion channels from non-ion channels (TooT-BERT-C) and transporters from non-transporters (TooT-BERT-T). In this study, we build upon this approach by using a combination of classical machine learning classifiers and a Convolutional Neural Network (CNN) with fine-tuned representations from ProtBERT, ProtBERT-BFD, and MembraneBERT to discriminate ion channels from non-ion channels. The results of our experiments demonstrate that TooT-BERT-CNN-C, a combination of the representations from ProtBERT-BFD and a CNN, outperforms existing state-of-the-art methods for predicting ion channels, with a Matthews Correlation Coefficient (MCC) of 0.86 and an accuracy of 98.35% on an independent test set.

The use of nanomaterials has been increasing in recent times, and they are widely used in industries such as cosmetics, drug, food, water treatment and agriculture. The rapid development of new nanomaterials demands a set of approaches to evaluate the potential toxicity and risks related to them. In this regard, nanosafety has been using and adapting already existing methods (toxicological approach), but the unique characteristics of nanomaterials demand new approaches (nanotoxicology) to fully understand the potential toxicity, immunotoxicity and (epi)genotoxicity. Also, new technologies, such as organ-on-chip and sophisticated sensors, are under development and/or adaptation. All the information generated is used to develop new in silico approaches trying to predict the potential effects of newly developed materials. The overall evaluation of how from the production to final disposition chain of nanomaterials is evaluated under Life Cycle Assessment (LCA), which is becoming an important element of nanosafety considering sustainability and environmental impact. In this review we give an overview of all these elements of nanosafety.

One of the most important challenges in the Machine and Deep Learning areas today is to build good models using small datasets, because sometimes it is not possible to have large ones. Several techniques have been proposed in the literature to address this challenge. This paper aims at studying the different available Deep Learning techniques and performing a thorough experimentation to analyze which technique or combination thereof improves the performance and effectiveness of the models. A complete comparison with classical Machine Learning techniques was carried out, to contrast the results obtained using both techniques when working with small datasets. Thirteen algorithms were implemented and trained using three different small datasets (MNIST, Fashion MNIST, and CIFAR-10). Each experiment was evaluated using a well-established set of metrics (Accuracy, Precision, Recall, F1, and the Matthews correlation coefficient). The experimentation allowed concluding that it is possible to find a technique or combination of them to mitigate a lack of data, but this depends on the nature of the dataset, the amount of data, and the metrics used to evaluate them.

The role of agricultural transport costs in core-periphery structures has habitually been ignored in New Economic Geography (NEG) models. This is due to the convention of treating the agricultural good as the numéraire, thus implying that agricultural transportation costs are assumed to be zero in these models. For more than three decades, this has been the standard setting in spatial equilibrium analysis. The paper examines the effects of agricultural transport costs on the spatial organisation of regional structures in Peru. In doing so, the Krugman’s formulation of iceberg transport costs is modified to introduce the agricultural transport costs into the dynamic of the NEG models. We use exploratory spatial flow data analysis methods and non-spatial and spatial origin-destination flow models to explore how the regional spatial structure change when real transportation data for agricultural goods is included into the iceberg transport costs formulation. We show that agricultural transport costs generate flows that are systematically associated with flows to or from nearby regions generating thus the emergence of spatial spillovers across Peruvian regions. The results of the paper support the contention that NEG models have overshadowed the role of agricultural transport costs in determining the spatial configuration of economic activities.

Link prediction is an iconic problem in complex networks because deals with the ability to predict nonobserved existing or future parts of the network structure. The impact of this prediction on real applications can be disruptive: from prediction of covert links between terrorists in their social networks to repositioning of drugs in molecular diseasome networks. Here we compare: (1) an ensemble meta-learning method (Ghasemian et al.), which uses an artificial intelligence (AI) stacking strategy to create a single meta-model from hundreds of other models; (2) a structural predictability method (SPM, Lü et al.), which relies on a theory derived from quantum mechanics and does not assume any model; (3) a modelling rule named Cannistraci-Hebb (CH, Muscoloni et al.), which relies on one brain-bioinspired model adapting to the intrinsic network structure.We conclude that brute-force stacking of algorithms by AI does not perform better than (and is often significantly outperformed by) SPM and one simple brain-bioinspired rule such as CH. This agrees with the Gödel incompleteness: stacking is optimal but incomplete, you cannot squeeze out more than what is already in your features. Hence, we should also pursue AI that resembles human-like physical ‘understanding’ of simple generalized rules associated to complexity. The future might be populated by AI that ‘steals for us the fire from Gods’, towards machine intelligence that creates new rules rather than stacking the ones already known.

The study takes into account different classes of tunnel boring machines (TBMs), with the aim of identifying correlation models which are meant to estimate, at a preliminary design phase, the construction time of a tunnel and to evaluate the mechanical and operational parameters of the TBMs, starting from the knowledge of the tunnel length and/or the excavation diameter. To achieve this goal, first of all a database was created, thanks to the collection of the most meaningful technical parameters from a large number of tunnels; afterward, it was statistically analysed through Microsoft Excel. In a first phase, forecasting models were identified for the three types of machines investigated, separately for compact rocks (open TBM) and fractured rocks (single and double shield TBM). Then, the mechanical parameters collected through the database were analysed, with the aim of obtaining models that take into account, in addition to the type of TBM, the geological aspect, and the type of rock characterising the rock mass. Finally, the validation of the study was proposed in a real case, represented by the Moncenisio base tunnel, a work included in the new Turin–Lyon connection line. The estimated values were compared with the real ones, in order to verify the accuracy of the experimental models identified.

This paper describes the packaging models that are fundamental for the design of ultra-high-performance concrete (UHPC), and their evolution. They are divided into two large groups: continuous and discrete models. The latter are those that provide the best answer in obtaining an adequate simulation of the packing of the particles up to nanometric size. This includes the interaction among the particles by means of loosening and wall coefficients, allowing a simulation of the virtual and real compactness of such particles. In addition, a relationship between virtual and real compactness is obtained, through the compaction index, which may simulate the energy of compaction that the particles undergo in their placement in the mold. The use of last-generation additives allows such models to be implemented with water-cement (w/c) ratios close to 0.18. However, the premise of maximum packing as a basic pillar for the production of UHPC should not be the only one. The cement hydration process affected by nanoadditions and the ensuing effectiveness in the properties in both fresh and hardened state according to the respective percentages in the mixture should also be studied. An adequate ratio and proportion of these additions may lead to an obtaining of better results even with lower levels of compactness.

We advance binational link-tracing sampling design, an innovative data collection methodology for sampling from transnational social fields, i.e., transnational networks embedding migrants and non-migrants. This paper shows the practical challenges of such a design, the representativeness of the samples and the qualities of the resulted networks. We performed 303 face-to-face structured interviews on sociodemographic variables, migration trajectories and personal networks of people living in a Romanian migration sending community (Dâmbovița) and in a migration receiving Spanish town (Castellón), simultaneously in both sites. Inter-connecting the personal networks, we built a multi-layered complex network structure embedding 4,855 nominated people, 5,477 directed ties (nominations) and 2,540 edges. Results indicate that the participants’ unique identification is a particularly difficult challenge, the representativeness of the data is not optimal (homophily on observed attributes was detected in the nomination patterns), and the relational and attribute data allow to explore the social organization of the Romanian migrant enclave in Castellón, as well as its connectivity to other places. Furthermore, we provide methodological suggestions for improving link-tracing sampling from transnational networks of migration. Our research contributes to the emerging efforts of applying social network analysis to the study of international migration.

Since the first case of 2019 novel coronavirus disease (COVID-19) detected on Jan 30, 2020, in India, the number of cases rapidly increased to 3819 cases including 106 deaths as of 5 April 2020. Taking this into account, in the present work, we are studying a Bats-Hosts-Reservoir-People transmission fractional-order COVID-19 model for simulating the potential transmission with the thought of individual social response and control measures by the government. The real data available about infectious cases from $14^{th}$ March to $26^{th}$ March 2020 is analysed and accordingly various parameters of the model are estimated or fitted. The Picard successive approximation technique and Banach's fixed point theory have been used for verification of the existence and stability criteria of the model. Numerical computations are done utilizing the iterative Laplace transform method. In the end, we illustrate the obtained results graphically. The purpose of this study is to estimate the effectiveness of preventive measures, predicting future outbreaks and potential control strategies using the mathematical model.

In the field of pavement engineering, the determination of the mechanical characteristics is one of the essential process for reliable material design and highway sustainability. Early determination of mechanical characteristics of pavement is highly essential for road and highway construction and maintenance. Tensile strength (TS), compressive strength (CS) and flexural strength (FS) of roller compacted concrete pavement (RCCP) are very crucial characteristics as they are necessitated for many data from mixture proportions as input variables. In this research, the classification-based regression models named Random Forest (RF), M5rule model tree (M5rule), M5prime model tree (M5p) and Chi-square Automatic Interaction Detection (CHAID) are developed for simulation of the mechanical characteristics of RCCP. A comprehensive and reliable dataset comprising 621, 326 and 290 data records for CS, TS and FS experimental cases extracted from several open sources over the literature. The mechanical properties are developed based on influential inputs combination that processed using Principle Component Analysis (PCA). The applied PCA method as feature selection is specified that volumetric/weighted content forms of experimental variables (e.g., coarse aggregate, fine aggregate, supplementary cementitious materials, water and binder) and specimens’ age are the most effective inputs to generate the better performances. Several statistical metrics are measured to evaluate proposed classification-based regression models. RF model revealed an optimistic classification capacity of the CS, TS and FS prediction of the RCCP in comparison with the CHAID, M5rule, and M5p models. The research is extended for the results verification using Monte-carlo model for the uncertainty and sensitivity of variables importance analysis. Overall, the proposed methodology indicated a reliable soft computing model that can be implemented for the material engineering construction and design.

Spiral galaxies and their rotation curves have key characteristics of differentially spinning objects. Oblate spheroid shapes are a consequence of spin and reasonably describe galaxies, indicating that their matter is distributed in gravitationally interacting homeoidal shells. Previously published equations describing differentially spinning oblate spheroids with radially varying density are here applied to 51 galaxies, mostly spirals. A constant volumetric density (rho, kg m-3) is assumed for each thin homeoid in these formulae, after Newton, which is consistent with RC being reported simply as a function of equatorial radius r. We construct parameter-free inverse models that uniquely specify mass inside any given r, and thus directly constrain rho vs. r solely from velocity v(r) and galactic aspect ratios (assumed as 1:10 when data are unavailable). Except for their innermost zones, rho is proven to be closely proportional to rn, where n for all 36 spirals studied equals -1.80±0.40. Our values for interior densities compare closely with independently measured baryon density in appropriate astronomical environments: for example, calculated rho at galactic edges agrees with estimated rho of intergalactic media (IGM). Our finding that central densities increase with galaxy size is consistent with behavior exhibited by diverse self-gravitating entities. Our calculated mass distributions are consistent with visible luminosity and require no non-baryonic component. Empirical luminosity-velocity relationships for galaxies, such as the Tully-Fisher rule, originate in Newtonian physics.

Calibrating ecological models or making decisions with them is an optimisation problem with challenging methodological issues. Depending on the optimisation formulation, there may be a large variety of optimisation configurations (e.g. multiple objectives, constraints, stochastic criteria) and finding a single acceptable solution may be difficult. The challenges are exacerbated by the high computational cost and the non linear or elusive mathematical properties that increased with the complexity of numerical models. From the feedbacks of practitioners, the need for a guideline for conducting optimisation of complex models has emerged. In this context, we propose a practical guide for the complex model optimisation process, covering both calibration and decision-making. The guide sets out the workflow with recommendations for each step based on existing tools and methods usually scattered throughout the literature. This guide is accompanied with an ODDO template (Overview, Design, Details of Optimisation) to standardise the published description of model-based optimisation and suggests research directions.

Drought is one of the major stress factors affecting growth and development of plants. In this context, drought-related losses of crop plant productivity impede sustainable agriculture all over the world. In general, plants responses to water deficit by multiple physiological and metabolic adaptations at the molecular, cellular and organism levels. To understand the underlying mechanisms of drought tolerance, adequate stress models and arrays of reliable stress markers are required. Therefore, in this review we comprehensively address currently available models of drought stress, based on culturing plants in soil, hydroponic or agar culture. These experimental setups give access to different aspects of plant response to drought, like decrease of tissue water potential, reduction of stomata conductance and photosynthesis efficiency, accumulation of low-molecular weight solutes (metabolic adjustment) and drought protective proteins. Till now, this pattern of markers was successfully extended to the methods of enzyme chemistry, molecular biology and omics techniques. Thus, conventional tests can be efficiently complemented by determination of phytohormone and reactive oxygen species (ROS) contents, activities of antioxidant enzymes, as well as comprehensive profiling of transcriptome, proteome and metabolome.

Current numerical methods for simulating biophysical processes in aquatic environments are typically constructed in a grid-based Eulerian framework or as an individual-based model in a particle-based Lagrangian framework. Often, the biogeochemical processes and physical (hydrodynamic) processes occur at different time and space scales, and changes in biological processes do not affect the hydrodynamic conditions. Therefore, it is possible to develop an alternative strategy to grid-based approaches for linking hydrodynamic and biogeochemical models that can significantly improve computational efficiency for this type of linked biophysical model. In this work, we utilize a new technique which links hydrodynamic effects and biological processes through a property-carrying particle model (PCPM) in a Lagrangian/Eulerian framework. The model is tested in idealized cases and its utility is demonstrated in a practical application to Sandusky Bay. Results show the integration of Lagrangian and Eulerian approaches allows for a natural coupling of mass transport (represented by particle movements and random walk) and biological processes in water columns which is described by a nutrient-phytoplankton-zooplankton-detritus (NPZD) biological model. This method is far more efficient than traditional tracer based Eulerian biophysical models for 3-D simulation, particularly for a large domain and/or ensemble simulations.

The research showsThis paperstudy presents a theoretical model of sustainable tourism in protected areas based on the experiences obtained in fromthrough field work carried out in the Machalilla national park. The units of analysis that compose it and their theoretical–-methodological foundation, and as well as the indications for their practical implementation in the face of the changes imposed by future tourism are exposed. Using the deductive method, the an analysis of the problem and the general theories linked to sustainable tourism in protected areas was carried out., the This involved establishingment of the premises and the developingment of the objectives to reach conclusions on the topic studied. A qualitative investigation is presented that allowed for the integration of contributions from the analyszes carried out for the treatment and processing of information. Among the results, the systematization of theoretical models linked to tourism in protected areas and, from a practical point of view, the application of a sustainable tourism model was were achieved. The results show the relevance of the proposed theoretical model that is proposed as a contribution to the scientific development of tourism. This model highlights, the systemic nature of its components from a new perspective of analysis, which considerings the need for changes as a development factor.

Accurate and reliable mid-long runoff prediction (MLTRP) is of great importance in water re-sources management. However the MLTRP is not suitable in each basin and how to evaluate the applicability of MLTRP is still a question. Therefore, the total mutual information (TMI) index is developed in this study based on the predictor selection method using mutual information (MI) and partial MI (PMI). The relationship between the TMI and the predictive performance of five models is analyzed by applying five models in 222 forecasting scenarios in Australia. The results over 222 forecasting scenarios demonstrate that, compared with the MI, the developed TMI index can better represent the available information in the predictors, and has more significant negative correlation with the RRMSE with the correlation coefficient between -0.62 and -0.85. This means the model's predictive performance will become better along with the increase of TMI, and there-fore the developed TMI index can be used to evaluate the applicability of MLTRP. When TMI is more than 0.1, the available information in the predictors can support the construction of MLTRP models. In addition, the TMI is used to partly explain the difference of predictive performance among five models. In general, the complex models, which can better utilize the contained infor-mation, are more sensitive to the TMI, and have more significant improvement in terms of predic-tive performance along with the increase of TMI. This research can provide support for the study of MLTRP.

This study advances the field of infectious disease forecasting by introducing a novel approach to micro-level contact modeling, leveraging human movement patterns to generate realistic temporal dynamic networks. Through the incorporation of human mobility models and parameter tuning, this research presents an innovative method for simulating micro-level encounters that closely mirror infection dynamics within confined spaces. Central to our methodology is the application of Bayesian optimization for parameter selection, which refines our models to emulate both the properties of real-world infection curves and the characteristics of network properties. By focusing on the distinct aspects of infection propagation within confined spaces, our approach significantly improves the realism of temporal-dynamic contact networks, offering a powerful tool for assessing the impact of specific locations on pandemic dynamics. The resulting models shed light on the role of spatial encounters in disease spread and strengthen the capability to forecast and respond to infectious disease outbreaks. This work not only contributes to the scientific understanding of micro-level transmission patterns but also offers practical insights for public health strategies and digital contact tracing efforts, aiming at more effective intervention and containment measures during pandemics.

Accurate traffic simulation models play a crucial role in developing intelligent transport systems that offer timely traffic information to users and efficient traffic management. However, calibrating these models to represent real-world traffic conditions accurately poses a significant challenge due to the dynamic nature of traffic flow and the limitations of traditional calibration methods. This article introduces a machine learning-based approach to calibrate macroscopic traffic simulation models using real-time traffic video stream data. By leveraging computer vision technologies to extract key traffic parameters from video streams, the approach demonstrated a notable improvement in aligning the generated data from the calibrated simulation model with car sensor data, achieving an average improvement of over 50% compared to the uncalibrated macroscopic model. Moreover, there was a substantial reduction in data drift for the machine learning model integrated into the virtual transport space using vehicle-to-everything technology, resulting in a more than fourfold decrease in the average absolute error of the model.

The draconian regulation required by the inherent instability of cognitive phenomena -- gene expression, immune function, cancer suppression, wound healing, animal consciousness, machine intelligence, network stabilization, institutional cognition, and their many and varied composites -- can be viewed through the lens of the asymptotic limit theorems of both information and control theories. Here, we explore the dynamics and sometimes highly punctuated failures of the regulation of cognition under increasing `noise'. The approach parallels, and indeed generalizes, the Data Rate Theorem of control theory, extending the theorem's requirement of a minimum channel capacity necessary for stabilization of an inherently unstable system. Various models are explored across different basic underlying probability distributions characteristic of the system under study, and across different hierarchical scales, finding the addition of adaptive -- learned -- regulation greatly extends the reach of innate -- e.g., AI-driven or otherwise pre-programmed -- regulation. This work points toward the construction of new statistical tools for the analysis of observational and empirical data across a wide spectrum of inherent pathologies and adversarial challenges afflicting a wide variety of cognitive processes.

It has been known that dimensional constants such as ℏ, c, G, e, and k are merely human constructs whose values and units vary depending on the chosen system of measurement. Therefore, the time variation of dimensional constants lacks operational significance due to their dependence on them. It is well-structured and represents a valid discussion. However, this fact only becomes a meaningful debate within the context of a static or present universe. As well-established theoretically and observationally, the current universe is undergoing accelerated expansion, wherein dimensional quantities, like the wavelength of light, also experience redshift phenomena elongating over cosmic time. In other words, in an expanding universe, dimensional quantities of physical parameters vary with cosmic time. From this perspective, there exists the possibility that dimensional constants, such as the speed of light, could vary with the expansion of the universe. In this review paper, we contemplate under what circumstances the speed of light may change or remain constant over cosmic time, and discuss the potential for distinguishing these cases observationally.

Abstract: Patient blood samples are invaluable in clinical omics databases, yet current methodologies often fail to fully uncover the molecular mechanisms driving patient pathology. While Genome-scale Metabolic Models (GEMs) show promise in systems medicine by integrating various omics data, having only exometabolomic data remains a limiting factor. To address this gap, we introduce a comprehensive pipeline integrating GEMs with patient plasma metabolome. This pipeline constructs case-specific GEMs using literature-based and patient-specific metabolomic data. Novel computational methods, including adaptive sampling and an in-house developed algorithm for the rational exploration of the sampled space of solutions, enhance integration accuracy while improving computational performance. Model characterization involves task analysis in combination with clustering methods to identify critical cellular functions. The new pipeline was applied to a cohort of trauma patients to investigates shock-induced endotheliopathy using patient plasma metabolome data. By analyzing endothelial cell metabolism comprehensively, the pipeline identified critical substrates and contributed to the development of targeted therapeutic strategies. Our study demonstrates the efficacy of integrating patient plasma metabolome data into computational models to analyze endothelial cell metabolism in disease contexts. This approach offers a deeper understanding of metabolic dysregulations and provides insights into diseases with metabolic components and potential treatments.

In a context of increasingly necessary energy transition, precise modelling of profiles for low-voltage (LV) network consumers is crucial to enhance hosting capacity. Typically, load curves for these consumers are estimated through measurement campaigns conducted by Distribution System Operators (DSO) for a representative subset of customers or through the aggregation of load curves from household appliances within a residence. With the instrumentation of smart meters becoming more common, a new approach to modelling profiles for residential customers is proposed to make the most of the measurements from these meters. The disaggregation model estimates the load profile of customers on a low-voltage network by disaggregating the load curve measured at the secondary substation level. By utilizing only the maximum power measured by Linky smart meters, along with the load curve of the secondary substation, this model can estimate the daily profile of customers. For 48 secondary substations in our dataset, the model obtained an average symmetric mean average percentage error (SMAPE) error of 4.91% in reconstructing the load curve of the secondary substation from the curves disaggregated by the model. This methodology can allow the estimation of the daily consumption behaviors of the low-voltage customers. In this way, we can safely envision solutions that enhance the grid hosting capacity.

Natural language Processing (NLP) has significantly transformed in the last decade, especially in the field of Language Modeling. Large Language Models (LLMs) have achieved SOTA performances on Natural Language Understanding (NLU) and Natural Language Generation (NLG) tasks by learning language representation in self-supervised ways. This paper provides a comprehensive survey to capture the progression of advances in Language Models. In this paper, we examine the different aspects of Language Models, which started with a few million parameters but have reached the size of a trillion in a very short time. We also look at how these LLMs transitioned from task-specific to task-independent to task-and-language-independent architectures. This paper extensively discusses different pre-training objectives, benchmarks, and transfer learning methods used in LLMs. It also examines different fine-tuning and In-Context learning techniques used in downstream tasks. It also explores how LLMs can perform well across many domains and datasets if sufficiently trained on a large and diverse dataset. Next, it discusses how, over time, the availability of cheap computational power and large datasets have improved LLM’s capabilities and raised new challenges. As part of our study, we also inspect LLMs from the lens of scalability to see how their performance is affected by the model’s depth, width, and data size. Lastly, we provide an empirical comparison of existing trends and techniques and a comprehensive analysis of where the field of LLM currently stand.

The WORLD3 world model, which served as the basis for The Club of Rome report The Limits to Growth (1972), was criticized, among other things, for not being able to simulate social interactions. In order to remedy this shortcoming, a research group led by Karl Deutsch at the Berlin Science Center developed a far more comprehensive model between 1979 and 1988 entitled GLOBUS, which was supposed to be able to include political developments in the calculation. This article aims to explain the hopes that were attached to the creation of a further world model and the means by which attempts were made to assert its results. To this end, three genealogical lines of the model -I. as part of the world modeling community, II. as part of quantitative international relations research, III. as part of Karl Deutsch's cybernetic-political science research- will be presented. The data basis and the functioning of GLOBUS are then described. Finally, section VI is devoted to the research group's efforts to make the model "effective".

Machine learning has become more prevalent as a tool used for biogeochemical analysis in agricultural management. However, a common drawback of machine learning models is the lack of interpretability, as they are black boxes that provide little insight into agricultural management. To overcome this limitation, we compared three tree-based models (decision tree, random forest, and gradient boosting) to explain soil organic matter content through Shapley additive explanations (SHAP). Here, we used nationwide data on field crops, soil, terrain, and climate across South Korea (n = 9,584). Using the SHAP method, we identified common primary controls of the models, for example, regions with precipitation levels above 1400 mm and exchangeable potassium levels exceeding 1 cmol+ kg-1, which favor enhanced organic matter in the soil. Different models identified different impacts of nutrients on the organic matter level in the soil. The SHAP method is practical for assessing whether different machine learning models yield consistent findings in addressing these inquiries. Increasing the explainability of these models means determining essential variables related to soil organic matter management and understanding their associations for specific instances.

Drug-target affinity (DTA) prediction is crucial for understanding molecular interactions and aiding drug discovery and development. While various computational methods have been proposed for DTA prediction, their predictive accuracy remains limited, failing to delve into the structural nuances of interactions. With increasingly accurate and accessible structure prediction of targets, we developed a novel deep learning model, named S2DTA, to accurately predict DTA by fusing sequence and structural knowledge of drugs, targets, and pockets using heterogeneous models based on graph and semantic networks. Experimental findings underscored that complex feature representations imparted negligible enhancements to the model’s performance. However, the integration of heterogeneous models demonstrably bolstered predictive accuracy. In comparison to three state-of-the-art methodologies, the supremacy of S2DTA became strikingly apparent. It showcased a noteworthy 25.2% reduction in Mean Absolute Error (MAE) and an impressive 20.1% decrease in Root Mean Square Error (RMSE). Furthermore, S2DTA exhibited substantial advancements in other pivotal metrics, including Pearson Correlation Coefficient (PCC), Spearman, Concordance Index (CI), and R2. These metrics experienced remarkable increments of at least 19.6%, 17.5%, 8.1%, and a remarkable 49.4%, respectively. Finally, we conducted interpretability analysis on the effectiveness of S2DTA by bidirectional self-attention mechanism, fully proving that S2DTA is a valuable and accurate tool for predicting DTA. For further exploration, the source data and code repository can be accessed at https://github.com/dldxzx/S2DTA.

In the theoretical treatment of crystallization it is commonly assumed that relaxation processes of the liquid proceed fast as compared to crystal nucleation and growth processes. Actually, it is supposed that the liquid is located always in the metastable state corresponding to the current values of pressure and temperature. However, near and below the glass transition temperature, Tg, this condition is commonly not fulfilled. In such cases, in the treatment of crystallization, deviations of the state of the liquid from the respective metastable equilibrium state have to be accounted for in determining the kinetic coefficients governing the crystallization kinetics, the thermodynamic driving force of crystallization, and the surface tension of the aggregates of the newly evolving crystal phase including the surface tension of critical clusters affecting considerably the crystal nucleation rate. These factors may considerably influence the course of the overall crystallization process. A theoretical analysis of the resulting effects is given in the present paper by numerical solutions of the J(ohnson)–M(ehl)–A(vrami)–K(olmogorov)–equation employed as the tool to model the overall crystallization kinetics and by analytical estimates of the crystallization peak temperatures in dependence on cooling and heating rates. The results are shown to be in good agreement with experimental data. Possible extensions of the theory to be explored in future analysis are anticipated.