{"title":"Resolving the problem of multiple control parameters in optimized Borel-type summation","authors":"V. I. Yukalov, S. Gluzman","doi":"10.1007/s10910-024-01669-7","DOIUrl":null,"url":null,"abstract":"<p>One of the most often used methods of summing divergent series in physics is the Borel-type summation with control parameters improving convergence, which are defined by some optimization conditions. The well known annoying problem in this procedure is the occurrence of multiple solutions for control parameters. We suggest a method for resolving this problem, based on the minimization of cost functional. Control parameters can be introduced by employing the Borel–Leroy or Mittag–Leffler transforms. Also, two novel transformations are proposed using fractional integrals and fractional derivatives. New cost functionals are advanced, based on lasso and ridge selection criteria, and their performance is studied for a number of models. The developed method is shown to provide good accuracy for the calculated quantities.</p>","PeriodicalId":648,"journal":{"name":"Journal of Mathematical Chemistry","volume":"12 1","pages":""},"PeriodicalIF":1.7000,"publicationDate":"2024-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Mathematical Chemistry","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1007/s10910-024-01669-7","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
One of the most often used methods of summing divergent series in physics is the Borel-type summation with control parameters improving convergence, which are defined by some optimization conditions. The well known annoying problem in this procedure is the occurrence of multiple solutions for control parameters. We suggest a method for resolving this problem, based on the minimization of cost functional. Control parameters can be introduced by employing the Borel–Leroy or Mittag–Leffler transforms. Also, two novel transformations are proposed using fractional integrals and fractional derivatives. New cost functionals are advanced, based on lasso and ridge selection criteria, and their performance is studied for a number of models. The developed method is shown to provide good accuracy for the calculated quantities.
期刊介绍:
The Journal of Mathematical Chemistry (JOMC) publishes original, chemically important mathematical results which use non-routine mathematical methodologies often unfamiliar to the usual audience of mainstream experimental and theoretical chemistry journals. Furthermore JOMC publishes papers on novel applications of more familiar mathematical techniques and analyses of chemical problems which indicate the need for new mathematical approaches.
Mathematical chemistry is a truly interdisciplinary subject, a field of rapidly growing importance. As chemistry becomes more and more amenable to mathematically rigorous study, it is likely that chemistry will also become an alert and demanding consumer of new mathematical results. The level of complexity of chemical problems is often very high, and modeling molecular behaviour and chemical reactions does require new mathematical approaches. Chemistry is witnessing an important shift in emphasis: simplistic models are no longer satisfactory, and more detailed mathematical understanding of complex chemical properties and phenomena are required. From theoretical chemistry and quantum chemistry to applied fields such as molecular modeling, drug design, molecular engineering, and the development of supramolecular structures, mathematical chemistry is an important discipline providing both explanations and predictions. JOMC has an important role in advancing chemistry to an era of detailed understanding of molecules and reactions.