融合物理模型与数据驱动方法,提升复杂微分方程求解能力
Combining physics-based and data-driven models: advancing the frontiers of research with Scientific Machine Learning
- 将物理规律注入机器学习,增强模型可解释性与泛化能力
- 在心脏功能模拟中成功解决细胞本构关系与降维建模难题
- 适合关注多学科交叉、科学计算与医学建模的研究者
科学机器学习(SciML)是融合物理模型与数据驱动模型的新兴研究领域,用于数值求解微分方程问题。物理模型依赖对问题的物理理解、数学表述与数值逼近;数据驱动模型则不假设因果关系,直接从输入输出数据中提取关联。近年来,随着数据量激增、算力成本下降及强大机器学习算法的发展,数据驱动模型迅速普及。SciML结合物理模型的先验知识与数据驱动模型的高效模式发现能力,可在机器学习中嵌入物理与数学约束,同时利用数据挖掘复杂非线性规律以提升物理模型的表达能力。本文回顾了数字建模与机器学习算法的数学基础,介绍了主流机器学习架构,并探讨了多种SciML策略在偏微分方程(PDE)问题中的巨大潜力。最后,展示了SciML在人类心脏功能模拟中的成功应用——这一具有重要社会经济意义的领域在数学与计算层面面临诸多挑战。尽管物理模型具备高鲁棒性与准确性,但心脏细胞本构关系、心肌材料属性的揭示以及高效降阶模型的构建,均通过数据驱动方法得以突破。
原文摘要 · Abstract (English)
Scientific Machine Learning (SciML) is a recently emerged research field which combines physics-based and data-driven models for the numerical approximation of differential problems. Physics-based models rely on the physical understanding of the problem, subsequent mathematical formulation, and numerical approximation. Data-driven models instead aim to extract relations between input and output data without arguing any causality principle underlining the available data distribution. In recent years, data-driven models have been rapidly developed and popularized. Such a diffusion has been triggered by a huge availability of data, increasingly cheap computing power, and the development of powerful ML algorithms. SciML leverages the physical awareness of physics-based models and the efficiency of data-driven algorithms. With SciML, we can inject physics and mathematical knowledge into ML algorithms. Yet, we can rely on data-driven algorithms' capability to discover complex and nonlinear patterns from data and improve the descriptive capacity of physics-based models. After recalling the mathematical foundations of digital modelling and ML algorithms and presenting the most popular ML architectures, we discuss the great potential of a broad variety of SciML strategies in solving complex problems governed by PDEs. Finally, we illustrate the successful application of SciML to the simulation of the human cardiac function, a field of significant socioeconomic importance that poses numerous challenges on both the mathematical and computational fronts. Despite the robustness and accuracy of physics-based models, certain aspects, such as unveiling constitutive laws for cardiac cells and myocardial material properties, as well as devising efficient reduced order models to dominate the extraordinary computational complexity, have been successfully tackled by leveraging data-driven models.
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