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A deep neural network for operator learning enhanced by attention and gating mechanisms for long-time forecasting of tumor growth 利用注意力和门控机制增强运算器学习的深度神经网络,用于肿瘤生长的长期预测
IF 8.7 2区 工程技术 Q1 Mathematics Pub Date : 2024-07-10 DOI: 10.1007/s00366-024-02003-0
Qijing Chen, He Li, Xiaoning Zheng

Forecasting tumor progression and assessing the uncertainty of predictions play a crucial role in clinical settings, especially for determining disease outlook and making informed decisions about treatment approaches. In this work, we propose TGM-ONets, a deep neural operator learning (PI-DeepONet) based computational framework, which combines bioimaging and tumor growth modeling (TGM) for enhanced prediction of tumor growth. Deep neural operators have recently emerged as a powerful tool for learning the solution maps between the function spaces, and they have demonstrated their generalization capability in making predictions based on unseen input instances once trained. Incorporating the physics laws into the loss function of the deep neural operator can significantly reduce the amount of the training data. The novelties of the design of TGM-ONets include the employment of a convolutional block attention module (CBAM) and a gating mechanism (i.e., mixture of experts (MoE)) to extract the features of the input images. Our results show that the TGM-ONets not only can capture the detailed morphological characteristics of the mild and aggressive tumors within and outside the training domain but also can be used to predict the long-term dynamics of both mild and aggressive tumor growth for up to 6 months with a maximum error of less than 6.7 (times 10^{-2}) for unseen input instances with two or three snapshots added. We also systematically study the effects of the number of training snapshots and noisy data on the performance of TGM-ONets as well as quantify the uncertainty of the model predictions. We demonstrate the efficiency and accuracy by comparing the performance of TGM-ONets with three state-of-the-art (SOTA) baseline models. In summary, we propose a new deep learning model capable of integrating the TGM and sequential observations of tumor morphology to improve the current approaches for predicting tumor growth and thus provide an advanced computational tool for patient-specific tumor prognosis.

预测肿瘤进展和评估预测的不确定性在临床环境中发挥着至关重要的作用,尤其是在确定疾病前景和就治疗方法做出明智决策方面。在这项工作中,我们提出了一种基于深度神经算子学习(PI-DeepONet)的计算框架--TGM-ONets,它结合了生物成像和肿瘤生长建模(TGM),用于增强肿瘤生长预测。最近,深度神经算子已成为学习函数空间之间解映射的强大工具,它们在训练后根据未见输入实例进行预测方面已证明了自己的泛化能力。将物理定律纳入深度神经算子的损失函数可以大大减少训练数据量。TGM-ONets 的设计新颖之处在于采用了卷积块注意模块(CBAM)和门控机制(即专家混合物(MoE))来提取输入图像的特征。我们的研究结果表明,TGM-ONets不仅能捕捉到训练域内外轻度和侵袭性肿瘤的详细形态特征,还能用于预测轻度和侵袭性肿瘤长达6个月的长期生长动态,对于添加了两到三个快照的未见输入实例,最大误差小于6.7(times 10^{-2})。我们还系统地研究了训练快照数量和噪声数据对 TGM-ONets 性能的影响,并量化了模型预测的不确定性。我们将 TGM-ONets 的性能与三个最先进的(SOTA)基线模型进行了比较,从而证明了其效率和准确性。总之,我们提出了一种新的深度学习模型,该模型能够整合 TGM 和肿瘤形态学的连续观察结果,从而改进当前预测肿瘤生长的方法,为患者特异性肿瘤预后提供先进的计算工具。
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引用次数: 0
Analyzing elastic half-spaces with cavities under wave loads using an RK dynamic infinite meshfree method 利用 RK 动态无限无网格法分析波载荷下带空腔的弹性半空间
IF 8.7 2区 工程技术 Q1 Mathematics Pub Date : 2024-07-06 DOI: 10.1007/s00366-024-02021-y
Kuan-Chung Lin, Ting-Wei Chen

This study introduces a novel dynamic infinite meshfree method, termed RK-DIMM (reproducing kernel dynamic infinite meshfree method), which is specifically developed for analyzing elastic half-spaces with cavities under the influence of both P-waves and SV-waves. RK-DIMM integrates the principles of reproducing kernel particle methods with dynamic infinite element techniques to enhance computational efficiency and accuracy in wave propagation simulations. The method partitions the infinite domain into near and far domains using artificial boundaries, utilizing RK in the near domain and DIMM in the far domain. Through the application of stabilized conforming nodal integration and naturally stabilized nodal integration, RK-DIMM achieves accurate and stable solutions. Our rigorous benchmark comparisons have confirmed the method’s exceptional ability to simulate wave dissipation and reflections with high accuracy and computational efficiency. RK-DIMM has proven to be highly effective in mimicking soil responses to synthetic earthquake forces, closely aligning with analytical predictions, and has demonstrated robust performance in scenarios involving underground cavities. Furthermore, its application to real earthquake data, particularly the 1999 Chi-Chi earthquake, underscores its practical utility and relevance. The results from this study highlight RK-DIMM’s potential as a transformative tool in computational geomechanics, significantly enhancing the precision and reliability of seismic impact assessments on civil infrastructures.

本研究介绍了一种新颖的动态无限无网格方法,称为 RK-DIMM(再现内核动态无限无网格方法),专门用于分析 P 波和 SV 波影响下带空腔的弹性半空间。RK-DIMM 将再现内核粒子法原理与动态无限元技术相结合,提高了波传播模拟的计算效率和精度。该方法利用人工边界将无限域划分为近域和远域,在近域利用 RK,在远域利用 DIMM。通过应用稳定顺应节点积分和自然稳定节点积分,RK-DIMM 实现了精确稳定的求解。通过严格的基准比较,我们证实了该方法在高精度和高计算效率地模拟波浪消散和反射方面的卓越能力。事实证明,RK-DIMM 在模拟土壤对合成地震力的响应方面非常有效,与分析预测结果非常吻合,并在涉及地下空洞的情况下表现出强大的性能。此外,它在实际地震数据中的应用,尤其是在 1999 年芝芝地震中的应用,凸显了它的实用性和相关性。这项研究的结果凸显了 RK-DIMM 作为计算地质力学变革性工具的潜力,可显著提高民用基础设施地震影响评估的精度和可靠性。
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引用次数: 0
The generation of tetrahedral meshes for NURBS-enhanced FEM 生成用于 NURBS 增强有限元的四面体网格
IF 8.7 2区 工程技术 Q1 Mathematics Pub Date : 2024-07-05 DOI: 10.1007/s00366-024-02004-z
Xi Zou, Sui Bun Lo, Ruben Sevilla, Oubay Hassan, Kenneth Morgan

This work presents the first method for generating tetrahedral-based volume meshes dedicated to the NURBS-enhanced finite element method (NEFEM). Built upon the developed method of generating feature-independent surface meshes tailored for NEFEM, the proposed mesh generation scheme is able to grow volume elements that inherit the feature-independence by using the surface mesh as the initial boundary discretisation. Therefore, the generated tetrahedral elements may contain triangular faces that span across multiple NURBS surfaces whilst maintaining the exact boundary description. The proposed strategy completely eliminates the need for de-featuring complex watertight CAD models. At the same time, it eliminates the uncertainty originated from the simplification of CAD models adopted in industrial practice and the error introduced by traditional isoparametric mesh generators that produce polynomial approximations of the true boundary representation. Thanks to the capability of having element faces traversing multiple geometric surfaces, small geometric features in the CAD model no longer restrict the minimum element size, and the user-required mesh spacing in the generated mesh is better satisfied than in traditional meshes that require local refinement. To demonstrate the ability of the proposed approach, a variety of CAD geometries are meshed with the proposed strategy, including examples relevant to the fluid dynamics, wave propagation and solid mechanics communities.

本研究提出了第一种生成基于四面体的体积网格的方法,专用于 NURBS 增强有限元法(NEFEM)。基于为 NEFEM 量身定制的、与特征无关的曲面网格生成方法,所提出的网格生成方案能够通过使用曲面网格作为初始边界离散化,生成继承了特征无关性的体积元素。因此,生成的四面体元素可以包含跨越多个 NURBS 表面的三角形面,同时保持精确的边界描述。所提出的策略完全消除了对复杂的不透水 CAD 模型进行去拟合的需要。同时,它还消除了工业实践中采用的 CAD 模型简化所带来的不确定性,以及传统的等参数网格生成器所带来的误差,这些生成器会生成真实边界表示的多项式近似值。由于元素面能够穿越多个几何表面,CAD 模型中的小几何特征不再限制最小元素尺寸,与需要局部细化的传统网格相比,生成的网格能更好地满足用户对网格间距的要求。为了证明所提方法的能力,使用所提策略对各种 CAD 几何图形进行了网格划分,其中包括与流体动力学、波传播和固体力学领域相关的示例。
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引用次数: 0
Adaptive phase-field total Lagrangian material point method for evaluating dynamic fracture of soft material 用于评估软材料动态断裂的自适应相场总拉格朗日材料点法
IF 8.7 2区 工程技术 Q1 Mathematics Pub Date : 2024-07-03 DOI: 10.1007/s00366-024-02019-6
Yonggang Zheng, Shun Zhang, Weilong Yang, Zijian Zhang, Hongfei Ye, Hongwu Zhang

An adaptive phase-field total Lagrangian material point method (APTLMPM) is proposed in this paper for effectively simulating the dynamic fracture of two-dimensional soft materials with finite deformation. In this method, the governing equations for the fracture of soft materials are derived by integrating the phase-field fracture model with the total Lagrangian material point method (TLMPM), and corresponding discrete equations are then formulated with explicit time integration. To address the significant computational issue in terms of memory and processing time, an adaptive technique for dynamically splitting particles and background grids in the phase-field TLMPM is proposed, based on the phase-field values of the particles. To further maintain continuity of the physical field throughout the computational process and consider the characteristics of the field update, an information remapping strategy is developed. Several representative numerical examples are presented to demonstrate the accuracy and efficiency of the proposed APTLMPM by comparing the simulation results with experimental data and those as obtained with other numerical methods.

本文提出了一种自适应相场全拉格朗日材料点法(APTLMPM),用于有效模拟具有有限变形的二维软材料的动态断裂。在该方法中,通过将相场断裂模型与总拉格朗日材料点法(TLMPM)进行积分,推导出软材料断裂的控制方程,然后通过显式时间积分来制定相应的离散方程。为了解决内存和处理时间方面的重大计算问题,提出了一种基于粒子相场值的自适应技术,用于动态分割相场 TLMPM 中的粒子和背景网格。为了在整个计算过程中进一步保持物理场的连续性,并考虑到场更新的特点,还开发了一种信息重映射策略。通过将模拟结果与实验数据和其他数值方法得出的结果进行比较,介绍了几个具有代表性的数值示例,以证明所提出的 APTLMPM 的准确性和效率。
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引用次数: 0
Boundary parameter matching for isogeometric analysis using Schwarz–Christoffel mapping 利用施瓦茨-克里斯托弗映射进行等时几何分析的边界参数匹配
IF 8.7 2区 工程技术 Q1 Mathematics Pub Date : 2024-07-03 DOI: 10.1007/s00366-024-02020-z
Ye Ji, Matthias Möller, Yingying Yu, Chungang Zhu

Isogeometric analysis has brought a paradigm shift in integrating computational simulations with geometric designs across engineering disciplines. This technique necessitates analysis-suitable parameterization of physical domains to fully harness the synergy between Computer-Aided Design and Computer-Aided Engineering analyses. Existing methods often fix boundary parameters, leading to challenges in elongated geometries such as fluid channels and tubular reactors. This paper presents an innovative solution for the boundary parameter matching problem, specifically designed for analysis-suitable parameterizations. We employ a sophisticated Schwarz–Christoffel mapping technique, which is instrumental in computing boundary correspondences. A refined boundary curve reparameterization process complements this. Our dual-strategy approach maintains the geometric exactness and continuity of input physical domains, overcoming limitations often encountered with the existing reparameterization techniques. By employing our proposed boundary parameter matching method, we show that even a simple linear interpolation approach can effectively construct a satisfactory analysis-suitable parameterization. Our methodology offers significant improvements over traditional practices, enabling the generation of analysis-suitable and geometrically precise models, which is crucial for ensuring accurate simulation results. Numerical experiments show the capacity of the proposed method to enhance the quality and reliability of isogeometric analysis workflows.

等几何分析带来了工程学科计算模拟与几何设计整合的范式转变。这种技术需要对物理域进行适合分析的参数化,以充分利用计算机辅助设计和计算机辅助工程分析之间的协同作用。现有方法通常固定边界参数,导致在流体通道和管状反应器等细长几何形状中面临挑战。本文针对边界参数匹配问题提出了一种创新解决方案,专为适合分析的参数化而设计。我们采用了复杂的施瓦茨-克里斯托弗映射技术,该技术在计算边界对应关系时非常重要。精炼的边界曲线重参数化过程对此进行了补充。我们的双策略方法保持了输入物理域的几何精确性和连续性,克服了现有重新参数化技术经常遇到的局限性。通过采用我们提出的边界参数匹配方法,我们表明,即使是简单的线性插值方法,也能有效地构建令人满意的、适合分析的参数化。与传统方法相比,我们的方法有了显著改进,能够生成适合分析且几何精确的模型,这对于确保获得精确的模拟结果至关重要。数值实验表明,所提出的方法能够提高等距几何分析工作流程的质量和可靠性。
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引用次数: 0
Multiphysics modeling of 3D traction force microscopy with application to cancer cell-induced degradation of the extracellular matrix 应用于癌细胞诱导的细胞外基质降解的三维牵引力显微镜多物理场建模
IF 8.7 2区 工程技术 Q1 Mathematics Pub Date : 2024-07-02 DOI: 10.1007/s00366-024-02017-8
Alejandro Apolinar-Fernández, Jorge Barrasa-Fano, Hans Van Oosterwyck, José A. Sanz-Herrera

3D Traction Force Microscopy (3DTFM) constitutes a powerful methodology that enables the computation of realistic forces exerted by cells on the surrounding extracellular matrix (ECM). The ECM is characterized by its highly dynamic structure, which is constantly remodeled in order to regulate most basic cellular functions and processes. Certain pathological processes, such as cancer and metastasis, alter the way the ECM is remodeled. In particular, cancer cells are able to invade its surrounding tissue by the secretion of metalloproteinases that degrade the extracellular matrix to move and migrate towards different tissues, inducing ECM heterogeneity. Typically, 3DTFM studies neglect such heterogeneity and assume homogeneous ECM properties, which can lead to inaccuracies in traction reconstruction. Some studies have implemented ECM degradation models into 3DTFM, but the associated degradation maps are defined in an ad hoc manner. In this paper, we present a novel multiphysics approach to 3DTFM with evolving mechanical properties of the ECM. Our modeling considers a system of partial differential equations based on the mechanisms of activation of diffusive metalloproteinase MMP2 by membrane-bound metalloproteinase MT1-MMP. The obtained ECM density maps in an ECM-mimicking hydrogel are then used to compute the heterogeneous mechanical properties of the hydrogel through a multiscale approach. We perform forward and inverse TFM simulations both accounting for and omitting degradation, and results are compared to ground truth reference solutions in which degradation is considered. The main conclusions resulting from the study are: (i) the inverse methodology yields results that are significantly more accurate than those provided by the forward methodology; (ii) ignoring ECM degradation results in a considerable overestimation of tractions and non negligible errors in all analyzed cases.

三维牵引力显微镜(3DTFM)是一种功能强大的方法,可以计算细胞对周围细胞外基质(ECM)施加的真实作用力。细胞外基质具有高度动态结构的特点,它不断重塑以调节大多数基本细胞功能和过程。某些病理过程,如癌症和转移,会改变 ECM 的重塑方式。特别是,癌细胞能够通过分泌金属蛋白酶降解细胞外基质来侵袭周围组织,从而向不同组织移动和迁移,诱发 ECM 异质性。通常情况下,3DTFM 研究忽略了这种异质性,并假设 ECM 属性是均质的,这可能导致牵引重建不准确。一些研究在 3DTFM 中采用了 ECM 降解模型,但相关的降解图都是临时定义的。在本文中,我们提出了一种新颖的多物理场 3DTFM 方法,该方法具有不断变化的 ECM 机械特性。我们的建模考虑了基于膜结合金属蛋白酶 MT1-MMP 激活扩散金属蛋白酶 MMP2 机制的偏微分方程系统。得到的 ECM 模拟水凝胶中的 ECM 密度图可用于通过多尺度方法计算水凝胶的异质机械性能。我们进行了考虑降解和不考虑降解的正向和反向 TFM 模拟,并将结果与考虑降解的地面实况参考方案进行了比较。研究得出的主要结论是(i) 逆向方法得出的结果比正向方法得出的结果要精确得多;(ii) 忽略 ECM 降解会导致对牵引力的高估,并且在所有分析案例中都会产生不可忽略的误差。
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引用次数: 0
Deal.t: an implementation of multivariate analysis suitable T-splines within the deal.ii framework Deal.t:在 deal.ii 框架内实现适合 T 样条的多元分析
IF 8.7 2区 工程技术 Q1 Mathematics Pub Date : 2024-07-02 DOI: 10.1007/s00366-024-02002-1
Sven Beuchler, Robin Hiniborch, Philipp Morgenstern

We present a numerical framework for solving partial differential equations within an isogeometric context using T-splines in two and three space dimensions. Within this paper, we explain the data structures used for the implementation of deal.t (deal.II with T-splines) and main differences when using deal.t in contrast to deal.II. The authors present numerical experiments with error-based refinement (2D) and a priori refinement (3D) for scalar-valued problems. A full tutorial is given in the appendix. Since the new framework is based on deal.II, T-splines may be applied to various different PDEs.

我们提出了一个数值框架,用于在二维和三维空间中使用 Tplines 解决等几何背景下的偏微分方程。在本文中,我们解释了用于实现 deal.t(带 T 样条的 deal.II)的数据结构,以及使用 deal.t 与 deal.II 的主要区别。作者介绍了对标量值问题进行基于误差的细化(2D)和先验细化(3D)的数值实验。附录中提供了完整的教程。由于新框架基于 deal.II,T-样条曲线可应用于各种不同的 PDE。
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引用次数: 0
Isogeometric analysis based mesh adaptation for time dependent problems 基于等时分析的时间相关问题网格调整
IF 8.7 2区 工程技术 Q1 Mathematics Pub Date : 2024-07-01 DOI: 10.1007/s00366-024-02009-8
Mustapha Bahari, Abderrahmane Habbal, Ahmed Ratnani

This article presents a new algorithm designed to create a dynamic r-adaptive mesh within the framework of isogeometric analysis. The approach is based on the simultaneous computation of adaptive meshes using a nonlinear parabolic Monge–Ampere equation with a resolution of partial differential equations in multidimensional spaces. The technique ensures the absence of geometric boundary errors and is simple to implement, requiring the solution of only one Laplace scalar equation at each time step. It utilizes a fast diagonalization method that can be adapted to any dimension. Various numerical experiments were conducted to validate an original parabolic Monge–Ampere solver. The solver was respectively applied to Burgers, Allen–Cahn, and Cahn–Hilliard problems to demonstrate the efficiency of the new approach.

本文介绍了一种新算法,旨在等几何分析框架内创建动态 r 自适应网格。该方法基于同时计算自适应网格,使用非线性抛物线蒙日-安培方程和多维空间偏微分方程解析。该技术可确保不出现几何边界误差,而且实施简单,只需在每个时间步解决一个拉普拉斯标量方程。它采用快速对角化方法,可适用于任何维度。为了验证最初的抛物线蒙日-安培求解器,我们进行了各种数值实验。该求解器分别应用于 Burgers、Allen-Cahn 和 Cahn-Hilliard 问题,以证明新方法的效率。
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引用次数: 0
Uncertainty analysis in acoustics: perturbation methods and isogeometric boundary element methods 声学中的不确定性分析:扰动法和等几何边界元法
IF 8.7 2区 工程技术 Q1 Mathematics Pub Date : 2024-07-01 DOI: 10.1007/s00366-024-02018-7
Leilei Chen, Haojie Lian, Ruijin Huo, Jing Du, Weisong Liu, Zhuxuan Meng, Stéphane P. A. Bordas

This study proposes a generalized nth-order perturbation method based on (isogeometric) boundary element methods for uncertainty analysis in 3D acoustic scattering problems. In this paper, for the first time, we derive nth-order Taylor expansions of 3D acoustic boundary integral equations, taking incident wave frequency as a random input variable. In addition, subdivision surface basis functions used in geometric modeling are employed to discretize the generalized nth-order derivative boundary integral equations, in order to avoid cumbersome meshing procedure and retain geometric accuracy. Moreover, the fast multipole method is introduced to accelerate the stochastic perturbation analysis with boundary element methods. Numerical examples are given to demonstrate the accuracy and efficiency of the proposed uncertainty quantification algorithm.

本研究提出了一种基于(等几何)边界元方法的广义 nth 阶扰动方法,用于三维声散射问题的不确定性分析。本文首次将入射波频率作为随机输入变量,推导出三维声学边界积分方程的 nth 阶泰勒展开。此外,为了避免繁琐的网格划分过程并保持几何精度,我们采用了几何建模中使用的细分曲面基函数来离散广义 nth 阶导数边界积分方程。此外,还引入了快速多极子方法,以加速边界元方法的随机扰动分析。通过给出数值示例,证明了所提出的不确定性量化算法的准确性和高效性。
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引用次数: 0
Solving acoustic scattering problems by the isogeometric boundary element method 用等几何边界元法解决声散射问题
IF 8.7 2区 工程技术 Q1 Mathematics Pub Date : 2024-07-01 DOI: 10.1007/s00366-024-02013-y
Jürgen Dölz, Helmut Harbrecht, Michael Multerer

We solve acoustic scattering problems by means of the isogeometric boundary integral equation method. In order to avoid spurious modes, we apply the combined field integral equations for either sound-hard scatterers or sound-soft scatterers. These integral equations are discretized by Galerkin’s method, which especially enables the mathematically correct regularization of the hypersingular integral operator. In order to circumvent densely populated system matrices, we employ the isogeometric embedded fast multipole method, which is based on interpolation of the kernel function under consideration on the reference domain, rather than in space. To overcome the prohibitive cost of the potential evaluation in case of many evaluation points, we also accelerate the potential evaluation by a fast multipole method which interpolates in space. The result is a frequency stable algorithm that scales essentially linear in the number of degrees of freedom and potential points. Numerical experiments are performed which show the feasibility and the performance of the approach.

我们通过等几何边界积分方程法解决声散射问题。为了避免虚假模式,我们应用了声硬散射体或声软散射体的组合场积分方程。这些积分方程采用 Galerkin 方法进行离散化处理,尤其能对超正弦积分算子进行正确的数学正则化处理。为了避开密集的系统矩阵,我们采用了等几何嵌入式快速多极法,该方法基于在参考域而非空间对所考虑的核函数进行插值。为了克服在评估点较多的情况下势能评估成本过高的问题,我们还采用了在空间进行插值的快速多极法来加速势能评估。这样就产生了一种频率稳定的算法,其规模与自由度和电位点的数量基本成线性关系。我们进行的数值实验表明了该方法的可行性和性能。
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引用次数: 0
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