{"title":"Sequencing Initial Conditions in Physics-Informed Neural Networks","authors":"S. Hooshyar, Arash Elahi","doi":"10.56946/jce.v3i1.345","DOIUrl":null,"url":null,"abstract":"The scientific machine learning (SciML) field has introduced a new class of models called physics-informed neural networks (PINNs). These models incorporate domain-specific knowledge as soft constraints on a loss function and use machine learning techniques to train the model. Although PINN models have shown promising results for simple problems, they are prone to failure when moderate level of complexities are added to the problems. We demonstrate that the existing baseline models, in particular PINN and evolutionary sampling (Evo), are unable to capture the solution to differential equations with convection, reaction, and diffusion operators when the imposed initial condition is non-trivial. We then propose a promising solution to address these types of failure modes. This approach involves coupling Curriculum learning with the baseline models, where the network first trains on PDEs with simple initial conditions and is progressively exposed to more complex initial conditions. Our results show that we can reduce the error by 1 – 2 orders of magnitude with our proposed method compared to regular PINN and Evo.","PeriodicalId":29792,"journal":{"name":"Journal of Chemistry and Environment","volume":"89 18","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemistry and Environment","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.56946/jce.v3i1.345","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
The scientific machine learning (SciML) field has introduced a new class of models called physics-informed neural networks (PINNs). These models incorporate domain-specific knowledge as soft constraints on a loss function and use machine learning techniques to train the model. Although PINN models have shown promising results for simple problems, they are prone to failure when moderate level of complexities are added to the problems. We demonstrate that the existing baseline models, in particular PINN and evolutionary sampling (Evo), are unable to capture the solution to differential equations with convection, reaction, and diffusion operators when the imposed initial condition is non-trivial. We then propose a promising solution to address these types of failure modes. This approach involves coupling Curriculum learning with the baseline models, where the network first trains on PDEs with simple initial conditions and is progressively exposed to more complex initial conditions. Our results show that we can reduce the error by 1 – 2 orders of magnitude with our proposed method compared to regular PINN and Evo.
期刊介绍:
Journal of Chemistry and Environment (ISSN: 2959-0132) is a peer-reviewed, open-access international journal that publishes original research and reviews in the fields of chemistry and protecting our environment for the future in an ongoing way. Our central goal is to provide a hub for researchers working across all subjects to present their discoveries, and to be a forum for the discussion of the important issues in the field. All scales of studies and analysis, from impactful fundamental advances in chemistry to interdisciplinary research across physical chemistry, organic chemistry, inorganic chemistry, biochemistry, chemical engineering, and environmental chemistry disciplines are welcomed. All manuscripts must be prepared in English and are subject to a rigorous and fair peer-review process. Accepted papers will appear online within 3 weeks followed by printed hard copies.
Note: There are no Article Publication Charges. (100% waived). Welcome to submit your Mini reviews, full reviews, and research articles.
Journal of Chemistry and Environment aims to publish high-quality research in the following areas: (Topics include, but are not limited to, the following)
• Physical, organic, inorganic & analytical chemistry
• Biochemistry & medicinal chemistry
• Environmental chemistry & environmental impacts of energy technologies
• Chemical physics, material & computational chemistry
• Catalysis, electrocatalysis & photocatalysis
• Energy, fuel cells & batteries
Journal of Chemistry and Environment publishes:
• Full papers
• Reviews
• Minireviews