A generalized exchange-correlation functional: the Neural-Networks approach

A Neural-Networks-based approach is proposed to construct a new type of exchange-correlation functional for density functional theory. It is applied to improve B3LYP functional by taking into account of high-order contributions to the exchange-correlation functional. The improved B3LYP functional is based on a neural network whose structure and synaptic weights are determined from 116 known experimental atomization energies, ionization potentials, proton affinities or total atomic energies which were used by Becke in his pioneer work on the hybrid functionals [J. Chem. Phys. ${\bf 98}$, 5648 (1993)]. It leads to better agreement between the first-principles calculation results and these 116 experimental data. The new B3LYP functional is further tested by applying it to calculate the ionization potentials of 24 molecules of the G2 test set. The 6-311+G(3{\it df},2{\it p}) basis set is employed in the calculation, and the resulting root-mean-square error is reduced to 2.2 kcal$\cdot$mol$^{-1}$ in comparison to 3.6 kcal$\cdot$mol$^{-1}$ of conventional B3LYP/6-311+G(3{\it df},2{\it p}) calculation.Comment: 10 pages, 1figur

A Vergleichsstellensatz of Strassen's Type for a Noncommutative Preordered Semialgebra through the Semialgebra of its Fractions

Preordered semialgebras and semirings are two kinds of algebraic structures occurring in real algebraic geometry frequently and usually play important roles therein. They have many interesting and promising applications in the fields of real algebraic geometry, probability theory, theoretical computer science, quantum information theory, \emph{etc.}. In these applications, Strassen's Vergleichsstellensatz and its generalized versions, which are analogs of those Positivstellens\"atze in real algebraic geometry, play important roles. While these Vergleichsstellens\"atze accept only a commutative setting (for the semirings in question), we prove in this paper a noncommutative version of one of the generalized Vergleichsstellens\"atze proposed by Fritz [\emph{Comm. Algebra}, 49 (2) (2021), pp. 482-499]. The most crucial step in our proof is to define the semialgebra of the fractions of a noncommutative semialgebra, which generalizes the definitions in the literature. Our new Vergleichsstellensatz characterizes the relaxed preorder on a noncommutative semialgebra induced by all monotone homomorphisms to $\mathbb{R}_+$ by three other equivalent conditions on the semialgebra of its fractions equipped with the derived preorder, which may result in more applications in the future.Comment: 28 page

LEI2JSON: Schema-based Validation and Conversion of Livestock Event Information

Livestock producers often need help in standardising (i.e., converting and validating) their livestock event data. This article introduces a novel solution, LEI2JSON (Livestock Event Information To JSON). The tool is an add-on for Google Sheets, adhering to the livestock event information (LEI) schema. The core objective of LEI2JSON is to provide livestock producers with an efficient mechanism to standardise their data, leading to substantial savings in time and resources. This is achieved by building the spreadsheet template with the appropriate column headers, notes, and validation rules, converting the spreadsheet data into JSON format, and validating the output against the schema. LEI2JSON facilitates the seamless storage of livestock event information locally or on Google Drive in JSON. Additionally, we have conducted an extensive experimental evaluation to assess the effectiveness of the tool.Comment: 20 pages, 6 figure

Synergistic effect of radiotherapy and dendritic-cell-based immunotherapy via miR-15b-5p regulation in a colon carcinoma mouse model

Purpose: To determine the combined effect of radiotherapy (RT) and dendritic cell (DC)-based immunotherapy on tumor regression, and the influence of miR-15b-5p on the sensitivity of the tumor to RT/DC. Methods: Colon carcinoma cell line (T-26) was injected subcutaneously into BALB/c mice to generate xenograft tumors. The animals were exposed to radiation therapy (RT) only or DC only, or RT plus DC (RT/DC). Tumor progression was measured and analyzed followed by quantification of miR-15b-5p using qPCR in each group 21 days after tumor inoculation. Overexpressed xenograft tumors were generated by transfecting MiR-15b-5p mimic to CT-26 cell lines and subcutaneously administered to mice. The mice were then subjected to RT/DC treatment and assessed for tumor growth, TUNEL staining, as well as mRNA and protein expressions of B-cell lymphoma-2 (BCL-2), caspase-3 (casp-3), and X-linked inhibitor of apoptosis protein (XIAP). Results: RT/DC combination treatment resulted in tumor regression and increased miR-15b-5p expression, when compared with other groups treated with RT and DC alone (p < 0.001). There was a marked reduction in tumor growth following RT/DC combination therapy in miR-15b-5p overexpressed xenograft tumor (p < 0.001). Moreover, miR-15b-5p/(RT/DC) treatment significantly increased cancer cell apoptosis. These results were substantiated by increased mRNA and protein expressions of casp-3, reduced BCL-2 and XIAP (p < 0.001). Conclusion: These findings demonstrate that RT/DC combination therapy increases miR-15b-5p levels in mice, and that miR-15b-5p upregulation enhances the sensitivity of tumors to RT/DC combination therapy. Therefore, the combination of RT and dendritic cell-based immunotherapy offers significant therapeutic advantage in controlling cancers, including metastatic tumors

LEI: Livestock Event Information Schema for Enabling Data Sharing

Data-driven advances have resulted in significant improvements in dairy production. However, the meat industry has lagged behind in adopting data-driven approaches, underscoring the crucial need for data standardisation to facilitate seamless data transmission to maximise productivity, save costs, and increase market access. To address this gap, we propose a novel data schema, Livestock Event Information (LEI) schema, designed to accurately and uniformly record livestock events. LEI complies with the International Committee for Animal Recording (ICAR) and Integrity System Company (ISC) schemas to deliver this data standardisation and enable data sharing between producers and consumers. To validate the superiority of LEI, we conducted a structural metrics analysis and a comprehensive case study. The analysis demonstrated that LEI outperforms the ICAR and ISC schemas in terms of design, while the case study confirmed its superior ability to capture livestock event information. Our findings lay the foundation for the implementation of the LEI schema, unlocking the potential for data-driven advances in livestock management. Moreover, LEI's versatility opens avenues for future expansion into other agricultural domains, encompassing poultry, fisheries, and crops. The adoption of LEI promises substantial benefits, including improved data accuracy, reduced costs, and increased productivity, heralding a new era of sustainability in the meat industry.Comment: 63 pages, 7 figure

Advances in genetic variation in metabolism-related fatty liver disease

Metabolism-related fatty liver disease (MAFLD) is the most common form of chronic liver disease in the world. Its pathogenesis is influenced by both environmental and genetic factors. With the upgrading of gene screening methods and the development of human genome project, whole genome scanning has been widely used to screen genes related to MAFLD, and more and more genetic variation factors related to MAFLD susceptibility have been discovered. There are genetic variants that are highly correlated with the occurrence and development of MAFLD, and there are genetic variants that are protective of MAFLD. These genetic variants affect the development of MAFLD by influencing lipid metabolism and insulin resistance. Therefore, in-depth analysis of different mechanisms of genetic variation and targeting of specific genetic variation genes may provide a new idea for the early prediction and diagnosis of diseases and individualized precision therapy, which may be a promising strategy for the treatment of MAFLD

Accumulative Approach in Multistep Diagonal Gradient-Type Method for Large-Scale Unconstrained Optimization

This paper focuses on developing diagonal gradient-type methods that employ accumulative approach in multistep diagonal updating to determine a better Hessian approximation in each step. The interpolating curve is used to derive a generalization of the weak secant equation, which will carry the information of the local Hessian. The new parameterization of the interpolating curve in variable space is obtained by utilizing accumulative approach via a norm weighting defined by two positive definite weighting matrices. We also note that the storage needed for all computation of the proposed method is just O(n). Numerical results show that the proposed algorithm is efficient and superior by comparison with some other gradient-type methods