{"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/reproducible-gray-box-neural-network-for","title":"ViscNet: Neural network for predicting the fragility index and the temperature-dependency of viscosity","arxiv_id":"2007.03719","date":"2020-07-07","proceeding":null,"authors":["Daniel R. Cassar"],"abstract":"Viscosity ($\\eta$) is one of the most important properties of disordered matter. The temperature-dependence of viscosity is used to adjust process variables for glass-making, from melting to annealing. The aim of this work was to develop a physics-informed machine learning model capable of predicting $\\eta(T)$ of oxide liquids. Instead of predicting the viscosity itself, the NN predicts the parameters of the MYEGA viscosity equation: the liquid's fragility index, the glass transition temperature, and the asymptotic viscosity. With these parameters, $\\eta$ can be computed at any temperature of interest, with the advantage of good extrapolation capabilities inherent to the MYEGA equation. The dataset was collected from the SciGlass database; only oxide liquids with enough data points in the high and low viscosity regions were selected, resulting in a final dataset with 17,584 data points containing 847 different liquids. About 600 features were engineered from the liquids' chemical composition and 35 of these features were selected using a feature selection protocol. The hyperparameter (HP) tuning of the NN was performed in a set of experiments using both random search and Bayesian strategies, where a total of 700 HP sets were tested. The most successful HP sets were further tested using 10-fold cross-validation, and the one with the lowest average validation loss was selected as the best set. The final trained NN was tested with a test dataset of 85 liquids with different compositions than those used for training and validating the NN. The $R^2$ for the test dataset's prediction was 0.97. This work introduces three advantages: the model can predict viscosity as well as the liquids' glass transition temperature and fragility index; the model is designed and trained with a focus on extrapolation; finally, the model is available as free and open-source software licensed under the GPL3.","url_abs":"https://arxiv.org/abs/2007.03719v3","url_pdf":"https://arxiv.org/pdf/2007.03719v3.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":"reproducible-gray-box-neural-network-for","repo_url":"https://github.com/drcassar/viscnet","is_official":1,"mentioned_in_paper":0,"mentioned_in_github":1,"framework":"pytorch","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}