One of the major issues in the computational mechanics is to take into account the geometrical complexity. To overcome this difficulty and to avoid the expensive mesh generation, geometrically unfitted methods, i.e. the numerical methods using the simple computational meshes that do not fit the boundary of the domain, and/or the internal interfaces, have been widely developed. In the present work, we investigate the performances of an unfitted method called $\phi$-FEM that converges optimally and uses classical finite element spaces so that it can be easily implemented using general FEM libraries. The main idea is to take into account the geometry thanks to a level set function describing the boundary or the interface. Up to now, the $\phi$-FEM approach has been proposed, tested and substantiated mathematically only in some simplest settings: Poisson equation with Dirichlet/Neumann/Robin boundary conditions. Our goal here is to demonstrate its applicability to some more sophisticated governing equations arising in the computational mechanics. We consider the linear elasticity equations accompanied by either pure Dirichlet boundary conditions or by the mixed ones (Dirichlet and Neumann boundary conditions co-existing on parts of the boundary), an interface problem (linear elasticity with material coefficients abruptly changing over an internal interface), a model of elastic structures with cracks, and finally the heat equation. In all these settings, we derive an appropriate variant of $\phi$-FEM and then illustrate it by numerical tests on manufactured solutions. We also compare the accuracy and efficiency of $\phi$-FEM with those of the standard fitted FEM on the meshes of similar size, revealing the substantial gains that can be achieved by $\phi$-FEM in both the accuracy and the computational time.
相關內容
Exact null distributions of goodness-of-fit test statistics are generally challenging to obtain in tractable forms. Practitioners are therefore usually obliged to rely on asymptotic null distributions or Monte Carlo methods, either in the form of a lookup table or carried out on demand, to apply a goodness-of-fit test. Stephens (1970) provided remarkable simple and useful transformations of several classic goodness-of-fit test statistics that stabilized their exact-$n$ critical values for varying sample sizes $n$. However, detail on the accuracy of these and subsequent transformations in yielding exact $p$-values, or even deep understanding on the derivation of several transformations, is still scarce nowadays. We illuminate and automatize, using modern tools, the latter stabilization approach to (i) expand its scope of applicability and (ii) yield semi-continuous exact $p$-values, as opposed to exact critical values for fixed significance levels. We show improvements on the stabilization accuracy of the exact null distributions of the Kolmogorov-Smirnov, Cram\'er-von Mises, Anderson-Darling, Kuiper, and Watson test statistics. In addition, we provide a parameter-dependent exact-$n$ stabilization for several novel statistics for testing uniformity on the hypersphere of arbitrary dimension. A data application in astronomy illustrates the benefits of the advocated stabilization for quickly analyzing small-to-moderate sequentially-measured samples.
In this paper, we formulate and study substructuring type algorithm for the Cahn-Hilliard (CH) equation, which was originally proposed to describe the phase separation phenomenon for binary melted alloy below the critical temperature and since then it has appeared in many fields ranging from tumour growth simulation, image processing, thin liquid films, population dynamics etc. Being a non-linear equation, it is important to develop robust numerical techniques to solve the CH equation. Here we present the formulation of Dirichlet-Neumann (DN) and Neumann-Neumann (NN) methods applied to CH equation and study their convergence behaviour. We consider the domain-decomposition based DN and NN methods in one and two space dimension for two subdomains and extend the study for multi-subdomain setting for NN method. We verify our findings with numerical results.
A matrix formalism for the determination of the best estimator in certain simulation-based parameter estimation problems will be presented and discussed. The equations, termed as the Linear Template Fit, combine a linear regression with a least square method and its optimization. The Linear Template Fit employs only predictions that are calculated beforehand and which are provided for a few values of the parameter of interest. Therefore, the Linear Template Fit is particularly suited for parameter estimation with computationally intensive simulations that are otherwise often limited in their usability for statistical inference, or for performance critical applications. Equations for error propagation are discussed, and the analytic form provides comprehensive insights into the parameter estimation problem. Furthermore, the quickly-converging algorithm of the Quadratic Template Fit will be presented, which is suitable for a non-linear dependence on the parameters. As an example application, a determination of the strong coupling constant, $\alpha_s(m_Z)$, from inclusive jet cross section data at the CERN Large Hadron Collider is studied and compared with previously published results.
Graph convolution is the core of most Graph Neural Networks (GNNs) and usually approximated by message passing between direct (one-hop) neighbors. In this work, we remove the restriction of using only the direct neighbors by introducing a powerful, yet spatially localized graph convolution: Graph diffusion convolution (GDC). GDC leverages generalized graph diffusion, examples of which are the heat kernel and personalized PageRank. It alleviates the problem of noisy and often arbitrarily defined edges in real graphs. We show that GDC is closely related to spectral-based models and thus combines the strengths of both spatial (message passing) and spectral methods. We demonstrate that replacing message passing with graph diffusion convolution consistently leads to significant performance improvements across a wide range of models on both supervised and unsupervised tasks and a variety of datasets. Furthermore, GDC is not limited to GNNs but can trivially be combined with any graph-based model or algorithm (e.g. spectral clustering) without requiring any changes to the latter or affecting its computational complexity. Our implementation is available online.
We propose a scalable Gromov-Wasserstein learning (S-GWL) method and establish a novel and theoretically-supported paradigm for large-scale graph analysis. The proposed method is based on the fact that Gromov-Wasserstein discrepancy is a pseudometric on graphs. Given two graphs, the optimal transport associated with their Gromov-Wasserstein discrepancy provides the correspondence between their nodes and achieves graph matching. When one of the graphs has isolated but self-connected nodes ($i.e.$, a disconnected graph), the optimal transport indicates the clustering structure of the other graph and achieves graph partitioning. Using this concept, we extend our method to multi-graph partitioning and matching by learning a Gromov-Wasserstein barycenter graph for multiple observed graphs; the barycenter graph plays the role of the disconnected graph, and since it is learned, so is the clustering. Our method combines a recursive $K$-partition mechanism with a regularized proximal gradient algorithm, whose time complexity is $\mathcal{O}(K(E+V)\log_K V)$ for graphs with $V$ nodes and $E$ edges. To our knowledge, our method is the first attempt to make Gromov-Wasserstein discrepancy applicable to large-scale graph analysis and unify graph partitioning and matching into the same framework. It outperforms state-of-the-art graph partitioning and matching methods, achieving a trade-off between accuracy and efficiency.
UMAP (Uniform Manifold Approximation and Projection) is a novel manifold learning technique for dimension reduction. UMAP is constructed from a theoretical framework based in Riemannian geometry and algebraic topology. The result is a practical scalable algorithm that applies to real world data. The UMAP algorithm is competitive with t-SNE for visualization quality, and arguably preserves more of the global structure with superior run time performance. Furthermore, UMAP has no computational restrictions on embedding dimension, making it viable as a general purpose dimension reduction technique for machine learning.
Because of continuous advances in mathematical programing, Mix Integer Optimization has become a competitive vis-a-vis popular regularization method for selecting features in regression problems. The approach exhibits unquestionable foundational appeal and versatility, but also poses important challenges. We tackle these challenges, reducing computational burden when tuning the sparsity bound (a parameter which is critical for effectiveness) and improving performance in the presence of feature collinearity and of signals that vary in nature and strength. Importantly, we render the approach efficient and effective in applications of realistic size and complexity - without resorting to relaxations or heuristics in the optimization, or abandoning rigorous cross-validation tuning. Computational viability and improved performance in subtler scenarios is achieved with a multi-pronged blueprint, leveraging characteristics of the Mixed Integer Programming framework and by means of whitening, a data pre-processing step.
This paper addresses the problem of formally verifying desirable properties of neural networks, i.e., obtaining provable guarantees that neural networks satisfy specifications relating their inputs and outputs (robustness to bounded norm adversarial perturbations, for example). Most previous work on this topic was limited in its applicability by the size of the network, network architecture and the complexity of properties to be verified. In contrast, our framework applies to a general class of activation functions and specifications on neural network inputs and outputs. We formulate verification as an optimization problem (seeking to find the largest violation of the specification) and solve a Lagrangian relaxation of the optimization problem to obtain an upper bound on the worst case violation of the specification being verified. Our approach is anytime i.e. it can be stopped at any time and a valid bound on the maximum violation can be obtained. We develop specialized verification algorithms with provable tightness guarantees under special assumptions and demonstrate the practical significance of our general verification approach on a variety of verification tasks.
Autonomous urban driving navigation with complex multi-agent dynamics is under-explored due to the difficulty of learning an optimal driving policy. The traditional modular pipeline heavily relies on hand-designed rules and the pre-processing perception system while the supervised learning-based models are limited by the accessibility of extensive human experience. We present a general and principled Controllable Imitative Reinforcement Learning (CIRL) approach which successfully makes the driving agent achieve higher success rates based on only vision inputs in a high-fidelity car simulator. To alleviate the low exploration efficiency for large continuous action space that often prohibits the use of classical RL on challenging real tasks, our CIRL explores over a reasonably constrained action space guided by encoded experiences that imitate human demonstrations, building upon Deep Deterministic Policy Gradient (DDPG). Moreover, we propose to specialize adaptive policies and steering-angle reward designs for different control signals (i.e. follow, straight, turn right, turn left) based on the shared representations to improve the model capability in tackling with diverse cases. Extensive experiments on CARLA driving benchmark demonstrate that CIRL substantially outperforms all previous methods in terms of the percentage of successfully completed episodes on a variety of goal-directed driving tasks. We also show its superior generalization capability in unseen environments. To our knowledge, this is the first successful case of the learned driving policy through reinforcement learning in the high-fidelity simulator, which performs better-than supervised imitation learning.
In this paper, we study the optimal convergence rate for distributed convex optimization problems in networks. We model the communication restrictions imposed by the network as a set of affine constraints and provide optimal complexity bounds for four different setups, namely: the function $F(\xb) \triangleq \sum_{i=1}^{m}f_i(\xb)$ is strongly convex and smooth, either strongly convex or smooth or just convex. Our results show that Nesterov's accelerated gradient descent on the dual problem can be executed in a distributed manner and obtains the same optimal rates as in the centralized version of the problem (up to constant or logarithmic factors) with an additional cost related to the spectral gap of the interaction matrix. Finally, we discuss some extensions to the proposed setup such as proximal friendly functions, time-varying graphs, improvement of the condition numbers.
注冊地址： 北京市海淀區羊坊店路18號2幢3層301-191