{"about":{"site":"https://codewithpapers.app","non_affiliation":"Code with Papers and Syntology are not affiliated with, endorsed by, or sponsored by Papers with Code, Meta, or the pwc-archive mirror.","licence":"CC BY-SA 4.0","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","attribution":"https://codewithpapers.app/attribution","modified":"archive material modified by Syntology; see the attribution page"},"url":"/paper/non-parametric-bayesian-approach-to","title":"Non-parametric Bayesian approach to extrapolation problems in configuration interaction methods","arxiv_id":"1907.04974","date":"2019-07-11","proceeding":null,"authors":["Sota Yoshida"],"abstract":"We propose a non-parametric extrapolation method based on constrained Gaussian processes for configuration interaction methods. Our method has many advantages: (i) applicability to small data sets such as results of {\\it ab initio} methods, (ii) flexibility to incorporate constraints, which are guided by physics, into the extrapolation model, (iii) providing predictions with quantified extrapolation uncertainty, etc. In the present study, we show an application to the extrapolation needed in full configuration interaction method as an example.","url_abs":"http://arxiv.org/abs/1907.04974v3","url_pdf":"http://arxiv.org/pdf/1907.04974v3.pdf","source":{"archive":"pwc-archive (Hugging Face), CC BY-SA 4.0","snapshot":"2025-07-28","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","row_kind":"links_only","authors_date_abstract":"arXiv metadata, CC0 1.0 (https://info.arxiv.org/help/license), from the Kaggle arXiv metadata snapshot of 2026-09-12"},"code_links":[{"paper_slug":"non-parametric-bayesian-approach-to","repo_url":"https://github.com/SotaYoshida/BCGP_ECI","is_official":1,"mentioned_in_paper":1,"mentioned_in_github":0,"framework":"none","reach":null}],"tasks":[],"methods":[],"datasets_introduced":[],"methods_introduced":[],"results":[],"syntology":{"atlas_url":null,"mcp":null,"developers":"https://syntology.ai/developers"},"arxiv_metadata":null,"syntology_extracted_results":null}