微分方程用于多种学科，描述了物理世界的复杂行为。这些方程式的分析解决方案通常很难求解，从而限制了我们目前求解复杂微分方程的能力，并需要将复杂的数值方法近似于解决方案。训练有素的神经网络充当通用函数近似器，能够以新颖的方式求解微分方程。在这项工作中，探索了神经网络算法在数值求解微分方程方面的方法和应用，重点是不同的损失函数和生物应用。传统损失函数和训练参数的变化显示出使神经网络辅助解决方案更有效的希望，从而可以调查更复杂的方程式管理生物学原理。

物理信息的神经网络（PINN）是神经网络（NNS），它们作为神经网络本身的组成部分编码模型方程，例如部分微分方程（PDE）。如今，PINN是用于求解PDE，分数方程，积分分化方程和随机PDE的。这种新颖的方法已成为一个多任务学习框架，在该框架中，NN必须在减少PDE残差的同时拟合观察到的数据。本文对PINNS的文献进行了全面的综述：虽然该研究的主要目标是表征这些网络及其相关的优势和缺点。该综述还试图将出版物纳入更广泛的基于搭配的物理知识的神经网络，这些神经网络构成了香草·皮恩（Vanilla Pinn）以及许多其他变体，例如物理受限的神经网络（PCNN），各种HP-VPINN，变量HP-VPINN，VPINN，VPINN，变体。和保守的Pinn（CPINN）。该研究表明，大多数研究都集中在通过不同的激活功能，梯度优化技术，神经网络结构和损耗功能结构来定制PINN。尽管使用PINN的应用范围广泛，但通过证明其在某些情况下比有限元方法（FEM）等经典数值技术更可行的能力，但仍有可能的进步，最著名的是尚未解决的理论问题。

Physics-Informed Neural Networks (PINN) are algorithms from deep learning leveraging physical laws by including partial differential equations together with a respective set of boundary and initial conditions as penalty terms into their loss function. In this work, we observe the significant role of correctly weighting the combination of multiple competitive loss functions for training PINNs effectively. To this end, we implement and evaluate different methods aiming at balancing the contributions of multiple terms of the PINNs loss function and their gradients. After reviewing of three existing loss scaling approaches (Learning Rate Annealing, GradNorm and SoftAdapt), we propose a novel self-adaptive loss balancing scheme for PINNs named \emph{ReLoBRaLo} (Relative Loss Balancing with Random Lookback). We extensively evaluate the performance of the aforementioned balancing schemes by solving both forward as well as inverse problems on three benchmark PDEs for PINNs: Burgers' equation, Kirchhoff's plate bending equation and Helmholtz's equation. The results show that ReLoBRaLo is able to consistently outperform the baseline of existing scaling methods in terms of accuracy, while also inducing significantly less computational overhead.

Deep learning has achieved remarkable success in diverse applications; however, its use in solving partial differential equations (PDEs) has emerged only recently. Here, we present an overview of physics-informed neural networks (PINNs), which embed a PDE into the loss of the neural network using automatic differentiation. The PINN algorithm is simple, and it can be applied to different types of PDEs, including integro-differential equations, fractional PDEs, and stochastic PDEs. Moreover, from the implementation point of view, PINNs solve inverse problems as easily as forward problems. We propose a new residual-based adaptive refinement (RAR) method to improve the training efficiency of PINNs. For pedagogical reasons, we compare the PINN algorithm to a standard finite element method. We also present a Python library for PINNs, DeepXDE, which is designed to serve both as an education tool to be used in the classroom as well as a research tool for solving problems in computational science and engineering. Specifically, DeepXDE can solve forward problems given initial and boundary conditions, as well as inverse problems given some extra measurements. DeepXDE supports complex-geometry domains based on the technique of constructive solid geometry, and enables the user code to be compact, resembling closely the mathematical formulation. We introduce the usage of DeepXDE and its customizability, and we also demonstrate the capability of PINNs and the user-friendliness of DeepXDE for five different examples. More broadly, DeepXDE contributes to the more rapid development of the emerging Scientific Machine Learning field.

Recent years have witnessed a growth in mathematics for deep learning--which seeks a deeper understanding of the concepts of deep learning with mathematics, and explores how to make it more robust--and deep learning for mathematics, where deep learning algorithms are used to solve problems in mathematics. The latter has popularised the field of scientific machine learning where deep learning is applied to problems in scientific computing. Specifically, more and more neural network architectures have been developed to solve specific classes of partial differential equations (PDEs). Such methods exploit properties that are inherent to PDEs and thus solve the PDEs better than classical feed-forward neural networks, recurrent neural networks, and convolutional neural networks. This has had a great impact in the area of mathematical modeling where parametric PDEs are widely used to model most natural and physical processes arising in science and engineering, In this work, we review such methods and extend them for parametric studies as well as for solving the related inverse problems. We equally proceed to show their relevance in some industrial applications.

These notes were compiled as lecture notes for a course developed and taught at the University of the Southern California. They should be accessible to a typical engineering graduate student with a strong background in Applied Mathematics. The main objective of these notes is to introduce a student who is familiar with concepts in linear algebra and partial differential equations to select topics in deep learning. These lecture notes exploit the strong connections between deep learning algorithms and the more conventional techniques of computational physics to achieve two goals. First, they use concepts from computational physics to develop an understanding of deep learning algorithms. Not surprisingly, many concepts in deep learning can be connected to similar concepts in computational physics, and one can utilize this connection to better understand these algorithms. Second, several novel deep learning algorithms can be used to solve challenging problems in computational physics. Thus, they offer someone who is interested in modeling a physical phenomena with a complementary set of tools.

在本文中，我们介绍了一种基于距离场的新方法，以确保物理知识的深神经网络中的边界条件。众所周知，满足网状紫外线和颗粒方法中的Dirichlet边界条件的挑战是众所周知的。该问题在物理信息的开发中也是相关的，用于解决部分微分方程的解。我们在人工神经网络中介绍几何意识的试验功能，以改善偏微分方程的深度学习培训。为此，我们使用来自建设性的实体几何（R函数）和广义的等级坐标（平均值潜在字段）的概念来构建$ \ phi $，对域边界的近似距离函数。要恰好施加均匀的Dirichlet边界条件，试验函数乘以\ PHI $乘以PINN近似，并且通过Transfinite插值的泛化用于先验满足的不均匀Dirichlet（必要），Neumann（自然）和Robin边界复杂几何形状的条件。在这样做时，我们消除了与搭配方法中的边界条件满意相关的建模误差，并确保以ritz方法点点到运动可视性。我们在具有仿射和弯曲边界的域上的线性和非线性边值问题的数值解。 1D中的基准问题，用于线性弹性，平面扩散和光束弯曲;考虑了泊松方程的2D，考虑了双音态方程和非线性欧克隆方程。该方法延伸到更高的尺寸，并通过在4D超立方套上解决彼此与均匀的Dirichlet边界条件求泊松问题来展示其使用。该研究提供了用于网眼分析的途径，以在没有域离散化的情况下在确切的几何图形上进行。

在这项工作中，我们分析了不同程度的不同精度和分段多项式测试函数如何影响变异物理学知情神经网络（VPINN）的收敛速率，同时解决椭圆边界边界值问题，如何影响变异物理学知情神经网络（VPINN）的收敛速率。使用依靠INF-SUP条件的Petrov-Galerkin框架，我们在精确解决方案和合适的计算神经网络的合适的高阶分段插值之间得出了一个先验误差估计。数值实验证实了理论预测并突出了INF-SUP条件的重要性。我们的结果表明，以某种方式违反直觉，对于平滑解决方案，实现高衰减率的最佳策略在选择最低多项式程度的测试功能方面，同时使用适当高精度的正交公式。

在本文中，开发了一种新的不连续性捕获浅神经网络（DCSNN），以近似于$ d $ d $二维的分段连续功能和解决椭圆界面问题。当前网络中有三个新颖的功能。即，（i）跳跃不连续性被准确捕获，（ii）它完全浅，仅包含一个隐藏层，（iii）它完全无网格，用于求解部分微分方程。这里的关键想法是，可以将$ d $维的分段连续函数扩展到$（d+1）$ - 尺寸空间中定义的连续函数，其中增强坐标变量标记每个子域的零件。然后，我们构建一个浅神经网络来表达这一新功能。由于仅使用一个隐藏层，因此训练参数（权重和偏见）的数量与隐藏层中使用的维度和神经元线性缩放。为了解决椭圆界面问题，通过最大程度地减少由管理方程式，边界条件和接口跳跃条件组成的均方误差损失来训练网络。我们执行一系列数值测试以证明本网络的准确性。我们的DCSNN模型由于仅需要训练的参数数量中等（在所有数值示例中使用了几百个参数），因此很有效，结果表明准确性良好。与传统的基于网格的浸入界面方法（IIM）获得的结果相比，该方法专门针对椭圆界面问题而设计，我们的网络模型比IIM表现出更好的精度。我们通过解决一个六维问题来结论，以证明本网络在高维应用中的能力。

物理知情的神经网络（PINN）要求定期的基础PDE解决方案，以确保准确的近似值。因此，它们可能会在近似PDE的不连续溶液（例如非线性双曲方程）的情况下失败。为了改善这一点，我们提出了一种新颖的PINN变体，称为弱PINN（WPINNS），以准确地近似标量保护定律的熵溶液。WPINN是基于近似于根据Kruzkhov熵定义的残留的最小最大优化问题的解决方案，以确定近似熵解决方案的神经网络的参数以及测试功能。我们证明了WPINN发生的误差的严格界限，并通过数值实验说明了它们的性能，以证明WPINN可以准确地近似熵解决方案。

我们提出了一种基于具有子域（CENN）的神经网络的保守能量方法，其中允许通过径向基函数（RBF），特定解决方案神经网络和通用神经网络构成满足没有边界惩罚的基本边界条件的可允许功能。与具有子域的强形式Pinn相比，接口处的损耗术语具有较低的阶数。所提出的方法的优点是效率更高，更准确，更小的近双达，而不是具有子域的强形式Pinn。所提出的方法的另一个优点是它可以基于可允许功能的特殊结构适用于复杂的几何形状。为了分析其性能，所提出的方法宫殿用于模拟代表性PDE，这些实施例包括强不连续性，奇异性，复杂边界，非线性和异质问题。此外，在处理异质问题时，它优于其他方法。

Non-equilibrium chemistry is a key process in the study of the InterStellar Medium (ISM), in particular the formation of molecular clouds and thus stars. However, computationally it is among the most difficult tasks to include in astrophysical simulations, because of the typically high (>40) number of reactions, the short evolutionary timescales (about $10^4$ times less than the ISM dynamical time) and the characteristic non-linearity and stiffness of the associated Ordinary Differential Equations system (ODEs). In this proof of concept work, we show that Physics Informed Neural Networks (PINN) are a viable alternative to traditional ODE time integrators for stiff thermo-chemical systems, i.e. up to molecular hydrogen formation (9 species and 46 reactions). Testing different chemical networks in a wide range of densities ($-2< \log n/{\rm cm}^{-3}< 3$) and temperatures ($1 < \log T/{\rm K}< 5$), we find that a basic architecture can give a comfortable convergence only for simplified chemical systems: to properly capture the sudden chemical and thermal variations a Deep Galerkin Method is needed. Once trained ($\sim 10^3$ GPUhr), the PINN well reproduces the strong non-linear nature of the solutions (errors $\lesssim 10\%$) and can give speed-ups up to a factor of $\sim 200$ with respect to traditional ODE solvers. Further, the latter have completion times that vary by about $\sim 30\%$ for different initial $n$ and $T$, while the PINN method gives negligible variations. Both the speed-up and the potential improvement in load balancing imply that PINN-powered simulations are a very palatable way to solve complex chemical calculation in astrophysical and cosmological problems.

物理信息神经网络（PINN）能够找到给定边界值问题的解决方案。我们使用有限元方法（FEM）的几个想法来增强工程问题中现有的PINN的性能。当前工作的主要贡献是促进使用主要变量的空间梯度作为分离神经网络的输出。后来，具有较高衍生物的强形式应用于主要变量的空间梯度作为物理约束。此外，该问题的所谓能量形式被应用于主要变量，作为训练的附加约束。所提出的方法仅需要一阶导数来构建物理损失函数。我们讨论了为什么通过不同模型之间的各种比较，这一点是有益的。基于配方混合的PINN和FE方法具有一些相似之处。前者利用神经网络的复杂非线性插值将PDE及其能量形式最小化及其能量形式，而后者则在元素节点借助Shape函数在元素节点上使用相同。我们专注于异质固体，以显示深学习在不同边界条件下在复杂环境中预测解决方案的能力。针对FEM的解决方案对两个原型问题的解决方案进行了检查：弹性和泊松方程（稳态扩散问题）。我们得出的结论是，通过正确设计PINN中的网络体系结构，深度学习模型有可能在没有其他来源的任何可用初始数据中解决异质域中的未知数。最后，关于Pinn和FEM的组合进行了讨论，以在未来的开发中快速准确地设计复合材料。

High-dimensional PDEs have been a longstanding computational challenge. We propose to solve highdimensional PDEs by approximating the solution with a deep neural network which is trained to satisfy the differential operator, initial condition, and boundary conditions. Our algorithm is meshfree, which is key since meshes become infeasible in higher dimensions. Instead of forming a mesh, the neural network is trained on batches of randomly sampled time and space points. The algorithm is tested on a class of high-dimensional free boundary PDEs, which we are able to accurately solve in up to 200 dimensions. The algorithm is also tested on a high-dimensional Hamilton-Jacobi-Bellman PDE and Burgers' equation. The deep learning algorithm approximates the general solution to the Burgers' equation for a continuum of different boundary conditions and physical conditions (which can be viewed as a high-dimensional space). We call the algorithm a "Deep Galerkin Method (DGM)" since it is similar in spirit to Galerkin methods, with the solution approximated by a neural network instead of a linear combination of basis functions. In addition, we prove a theorem regarding the approximation power of neural networks for a class of quasilinear parabolic PDEs.

本文侧重于各种技术来查找替代近似方法，可以普遍用于各种CFD问题，但计算成本低，运行时低。在机器学习领域中探讨了各种技术，以衡量实现核心野心的效用。稳定的平流扩散问题已被用作测试用例，以了解方法可以提供解决方案的复杂程度。最终，该重点留在物理知识的机器学习技术上，其中求解微分方程是可能的，而无需计算数据。 i.e的普遍方法拉加里斯et.al.和M. Raissi et.al彻底探讨。普遍存在的方法无法解决占主导地位问题。提出了一种称为分布物理知识神经网络（DPINN）的物理知情方法，以解决平流的主导问题。它通过分割域并将其他基于物理的限制引入均方平方损耗条款来增加旧方法的可执行和能力。完成各种实验以探索结束与该方法结束的最终可能性。也完成了参数研究以了解方法对不同可调参数的方法。该方法经过稳定的平流 - 扩散问题和不稳定的方脉冲问题。记录非常准确的结果。极端学习机（ELM）是一种以可调谐参数成本的快速神经网络算法。在平面扩散问题上测试所提出的模型的基于ELM的变体。榆树使得复杂优化更简单，并且由于该方法是非迭代的，因此解决方案被记录在单一镜头中。基于ELM的变体似乎比简单的DPINN方法更好。在本文中，将来同时进行各种发展的范围。

概率密度演化的推导提供了对许多随机系统及其性能的行为的宝贵洞察力。但是，对于大多数实时应用程序，对概率密度演变的数值确定是一项艰巨的任务。后者是由于所需的时间和空间离散方案引起的，这些方案使大多数计算解决方案过于效率和不切实际。在这方面，有效的计算替代模型的开发至关重要。关于物理受限网络的最新研究表明，可以通过编码对深神经网络的物理洞察力来实现合适的替代物。为此，目前的工作介绍了Deeppdem，它利用物理信息网络的概念通过提出深度学习方法来解决概率密度的演变。 Deeppdem了解随机结构的一般密度演化方程（GDEE）。这种方法为无网格学习方法铺平了道路，该方法可以通过以前的模拟数据解决密度演化问题。此外，它还可以作为优化方案或实时应用程序中任何其他时空点的溶液的有效替代物。为了证明所提出的框架的潜在适用性，研究了两个具有不同激活功能的网络体系结构以及两个优化器。关于三个不同问题的数值实施验证了所提出方法的准确性和功效。

在本文中，我们开发了一种物理知识的神经网络（PINN）模型，用于具有急剧干扰初始条件的抛物线问题。作为抛物线问题的一个示例，我们考虑具有点（高斯）源初始条件的对流 - 分散方程（ADE）。在$ d $维的ADE中，在初始条件衰减中的扰动随时间$ t $ as $ t^{ - d/2} $，这可能会在Pinn解决方案中造成较大的近似错误。 ADE溶液中的局部大梯度使该方程的残余效率低下的（PINN）拉丁高立方体采样（常见）。最后，抛物线方程的PINN解对损耗函数中的权重选择敏感。我们提出了一种归一化的ADE形式，其中溶液的初始扰动不会降低幅度，并证明该归一化显着降低了PINN近似误差。我们提出了与通过其他方法选择的权重相比，损耗函数中的权重标准更准确。最后，我们提出了一种自适应采样方案，该方案可显着减少相同数量的采样（残差）点的PINN溶液误差。我们证明了提出的PINN模型的前进，反向和向后ADE的准确性。

The identification of material parameters occurring in constitutive models has a wide range of applications in practice. One of these applications is the monitoring and assessment of the actual condition of infrastructure buildings, as the material parameters directly reflect the resistance of the structures to external impacts. Physics-informed neural networks (PINNs) have recently emerged as a suitable method for solving inverse problems. The advantages of this method are a straightforward inclusion of observation data. Unlike grid-based methods, such as the finite element method updating (FEMU) approach, no computational grid and no interpolation of the data is required. In the current work, we aim to further develop PINNs towards the calibration of the linear-elastic constitutive model from full-field displacement and global force data in a realistic regime. We show that normalization and conditioning of the optimization problem play a crucial role in this process. Therefore, among others, we identify the material parameters for initial estimates and balance the individual terms in the loss function. In order to reduce the dependence of the identified material parameters on local errors in the displacement approximation, we base the identification not on the stress boundary conditions but instead on the global balance of internal and external work. In addition, we found that we get a better posed inverse problem if we reformulate it in terms of bulk and shear modulus instead of Young's modulus and Poisson's ratio. We demonstrate that the enhanced PINNs are capable of identifying material parameters from both experimental one-dimensional data and synthetic full-field displacement data in a realistic regime. Since displacement data measured by, e.g., a digital image correlation (DIC) system is noisy, we additionally investigate the robustness of the method to different levels of noise.

基于神经网络的求解部分微分方程的方法由于其简单性和灵活性来表示偏微分方程的解决方案而引起了相当大的关注。在训练神经网络时，网络倾向于学习与低频分量相对应的全局特征，而高频分量以较慢的速率（F原理）近似。对于解决方案包含广泛尺度的一类等式，由于无法捕获高频分量，网络训练过程可能会遭受缓慢的收敛性和低精度。在这项工作中，我们提出了一种分层方法来提高神经网络解决方案的收敛速率和准确性。所提出的方法包括多训练水平，其中引导新引入的神经网络来学习先前级别近似的残余。通过神经网络训练过程的性​​质，高级校正倾向于捕获高频分量。我们通过一套线性和非线性部分微分方程验证所提出的分层方法的效率和稳健性。

在这项工作中，我们开发了一个有效的求解器，该求解器基于泊松方程的深神经网络，具有可变系数和由Dirac Delta函数$ \ delta（\ Mathbf {x}）$表示的可变系数和单数来源。这类问题涵盖了一般点源，线路源和点线组合，并且具有广泛的实际应用。所提出的方法是基于将真实溶液分解为一个单一部分，该部分使用拉普拉斯方程的基本解决方案在分析上以分析性的方式，以及一个正常零件，该零件满足适合的椭圆形PDE，并使用更平滑的来源，然后使用深层求解常规零件，然后使用深层零件来求解。丽兹法。建议提出遵守路径遵循的策略来选择罚款参数以惩罚Dirichlet边界条件。提出了具有点源，线源或其组合的两维空间和多维空间中的广泛数值实验，以说明所提出的方法的效率，并提供了一些现有方法的比较研究，这清楚地表明了其竞争力的竞争力具体的问题类别。此外，我们简要讨论该方法的误差分析。