{"title":"多偏微分方程突变遗忘自由语境算子学习的神经组合小波神经算子","authors":"Tapas Tripura , Souvik Chakraborty","doi":"10.1016/j.cpc.2025.109882","DOIUrl":null,"url":null,"abstract":"<div><div>Machine learning has witnessed substantial growth in recent years, leading to the development of advanced deep learning models crafted to address a wide range of real-world challenges spanning various domains, including the acceleration of scientific computing. Contemporary deep learning approaches to solving partial differential equations (PDEs) involve approximating either the function mapping of a specific problem or the solution operators of a pre-defined physical system. Consequently, solving multiple PDEs representing a variety of physical systems requires training of multiple deep learning models. The creation of physics-specific models from scratch for each new physical system remains a resource-intensive undertaking, demanding considerable (i) computational time, (ii) memory resources, (iii) energy, (iv) intensive physics-specific manual tuning, and (v) large problem-specific training datasets. A more generalized machine learning-enhanced computational approach would be to learn a single unified deep learning model (commonly defined as the foundation model) instead of training multiple solvers from scratch. Besides accelerating computational simulations, such unified models will address all the above challenges. In this study, we introduce the Neural Combinatorial Wavelet Neural Operator (NCWNO) as a foundational model for scientific computing. The NCWNO leverages a gated structure that employs local wavelet integral blocks to acquire shared features across multiple physical systems, complemented by a memory-based ensembling approach among these local wavelet experts. The proposed NCWNO offers two key advantages: (i) it can simultaneously learn solution operators for multiple parametric PDEs, and (ii) with pre-training, it can be fine-tuned to new parametric PDEs with reduced training datasets and time. The proposed NCWNO is the first kernel-based foundational operator learning algorithm distinguished by its (i) integral-kernel-based learning structure, (ii) robustness against catastrophic forgetting of old PDEs, and (iii) the facilitation of knowledge transfer across dissimilar physical systems. Through an extensive set of benchmark examples, we demonstrate that the NCWNO can outperform existing multiphysics and task-specific baseline operator learning frameworks.</div></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"318 ","pages":"Article 109882"},"PeriodicalIF":3.4000,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Neural combinatorial wavelet neural operator for catastrophic forgetting free in-context operator learning of multiple partial differential equations\",\"authors\":\"Tapas Tripura , Souvik Chakraborty\",\"doi\":\"10.1016/j.cpc.2025.109882\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Machine learning has witnessed substantial growth in recent years, leading to the development of advanced deep learning models crafted to address a wide range of real-world challenges spanning various domains, including the acceleration of scientific computing. Contemporary deep learning approaches to solving partial differential equations (PDEs) involve approximating either the function mapping of a specific problem or the solution operators of a pre-defined physical system. Consequently, solving multiple PDEs representing a variety of physical systems requires training of multiple deep learning models. The creation of physics-specific models from scratch for each new physical system remains a resource-intensive undertaking, demanding considerable (i) computational time, (ii) memory resources, (iii) energy, (iv) intensive physics-specific manual tuning, and (v) large problem-specific training datasets. A more generalized machine learning-enhanced computational approach would be to learn a single unified deep learning model (commonly defined as the foundation model) instead of training multiple solvers from scratch. Besides accelerating computational simulations, such unified models will address all the above challenges. In this study, we introduce the Neural Combinatorial Wavelet Neural Operator (NCWNO) as a foundational model for scientific computing. The NCWNO leverages a gated structure that employs local wavelet integral blocks to acquire shared features across multiple physical systems, complemented by a memory-based ensembling approach among these local wavelet experts. The proposed NCWNO offers two key advantages: (i) it can simultaneously learn solution operators for multiple parametric PDEs, and (ii) with pre-training, it can be fine-tuned to new parametric PDEs with reduced training datasets and time. The proposed NCWNO is the first kernel-based foundational operator learning algorithm distinguished by its (i) integral-kernel-based learning structure, (ii) robustness against catastrophic forgetting of old PDEs, and (iii) the facilitation of knowledge transfer across dissimilar physical systems. Through an extensive set of benchmark examples, we demonstrate that the NCWNO can outperform existing multiphysics and task-specific baseline operator learning frameworks.</div></div>\",\"PeriodicalId\":285,\"journal\":{\"name\":\"Computer Physics Communications\",\"volume\":\"318 \",\"pages\":\"Article 109882\"},\"PeriodicalIF\":3.4000,\"publicationDate\":\"2025-10-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Computer Physics Communications\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0010465525003844\",\"RegionNum\":2,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computer Physics Communications","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0010465525003844","RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS","Score":null,"Total":0}
Neural combinatorial wavelet neural operator for catastrophic forgetting free in-context operator learning of multiple partial differential equations
Machine learning has witnessed substantial growth in recent years, leading to the development of advanced deep learning models crafted to address a wide range of real-world challenges spanning various domains, including the acceleration of scientific computing. Contemporary deep learning approaches to solving partial differential equations (PDEs) involve approximating either the function mapping of a specific problem or the solution operators of a pre-defined physical system. Consequently, solving multiple PDEs representing a variety of physical systems requires training of multiple deep learning models. The creation of physics-specific models from scratch for each new physical system remains a resource-intensive undertaking, demanding considerable (i) computational time, (ii) memory resources, (iii) energy, (iv) intensive physics-specific manual tuning, and (v) large problem-specific training datasets. A more generalized machine learning-enhanced computational approach would be to learn a single unified deep learning model (commonly defined as the foundation model) instead of training multiple solvers from scratch. Besides accelerating computational simulations, such unified models will address all the above challenges. In this study, we introduce the Neural Combinatorial Wavelet Neural Operator (NCWNO) as a foundational model for scientific computing. The NCWNO leverages a gated structure that employs local wavelet integral blocks to acquire shared features across multiple physical systems, complemented by a memory-based ensembling approach among these local wavelet experts. The proposed NCWNO offers two key advantages: (i) it can simultaneously learn solution operators for multiple parametric PDEs, and (ii) with pre-training, it can be fine-tuned to new parametric PDEs with reduced training datasets and time. The proposed NCWNO is the first kernel-based foundational operator learning algorithm distinguished by its (i) integral-kernel-based learning structure, (ii) robustness against catastrophic forgetting of old PDEs, and (iii) the facilitation of knowledge transfer across dissimilar physical systems. Through an extensive set of benchmark examples, we demonstrate that the NCWNO can outperform existing multiphysics and task-specific baseline operator learning frameworks.
期刊介绍:
The focus of CPC is on contemporary computational methods and techniques and their implementation, the effectiveness of which will normally be evidenced by the author(s) within the context of a substantive problem in physics. Within this setting CPC publishes two types of paper.
Computer Programs in Physics (CPiP)
These papers describe significant computer programs to be archived in the CPC Program Library which is held in the Mendeley Data repository. The submitted software must be covered by an approved open source licence. Papers and associated computer programs that address a problem of contemporary interest in physics that cannot be solved by current software are particularly encouraged.
Computational Physics Papers (CP)
These are research papers in, but are not limited to, the following themes across computational physics and related disciplines.
mathematical and numerical methods and algorithms;
computational models including those associated with the design, control and analysis of experiments; and
algebraic computation.
Each will normally include software implementation and performance details. The software implementation should, ideally, be available via GitHub, Zenodo or an institutional repository.In addition, research papers on the impact of advanced computer architecture and special purpose computers on computing in the physical sciences and software topics related to, and of importance in, the physical sciences may be considered.