With the recent study of deep learning in scientific computation, the Physics-Informed Neural Networks (PINNs) method has drawn widespread attention for solving Partial Differential Equations (PDEs). Compared to traditional methods, PINNs can efficiently handle high-dimensional problems, but the accuracy is relatively low, especially for highly irregular problems. Inspired by the idea of adaptive finite element methods and incremental learning, we propose GAS, a Gaussian mixture distribution-based adaptive sampling method for PINNs. During the training procedure, GAS uses the current residual information to generate a Gaussian mixture distribution for the sampling of additional points, which are then trained together with historical data to speed up the convergence of the loss and achieve higher accuracy. Several numerical simulations on 2D and 10D problems show that GAS is a promising method that achieves state-of-the-art accuracy among deep solvers, while being comparable with traditional numerical solvers.
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Out-of-distribution (OOD) detection is a critical requirement for the deployment of deep neural networks. This paper introduces the HEAT model, a new post-hoc OOD detection method estimating the density of in-distribution (ID) samples using hybrid energy-based models (EBM) in the feature space of a pre-trained backbone. HEAT complements prior density estimators of the ID density, e.g. parametric models like the Gaussian Mixture Model (GMM), to provide an accurate yet robust density estimation. A second contribution is to leverage the EBM framework to provide a unified density estimation and to compose several energy terms. Extensive experiments demonstrate the significance of the two contributions. HEAT sets new state-of-the-art OOD detection results on the CIFAR-10 / CIFAR-100 benchmark as well as on the large-scale Imagenet benchmark. The code is available at: //github.com/MarcLafon/heat_ood.
Recently, diffusion models have demonstrated a remarkable ability to solve inverse problems in an unsupervised manner. Existing methods mainly focus on modifying the posterior sampling process while neglecting the potential of the forward process. In this work, we propose Shortcut Sampling for Diffusion (SSD), a novel pipeline for solving inverse problems. Instead of initiating from random noise, the key concept of SSD is to find the "Embryo", a transitional state that bridges the measurement image y and the restored image x. By utilizing the "shortcut" path of "input-Embryo-output", SSD can achieve precise and fast restoration. To obtain the Embryo in the forward process, We propose Distortion Adaptive Inversion (DA Inversion). Moreover, we apply back projection and attention injection as additional consistency constraints during the generation process. Experimentally, we demonstrate the effectiveness of SSD on several representative tasks, including super-resolution, deblurring, and colorization. Compared to state-of-the-art zero-shot methods, our method achieves competitive results with only 30 NFEs. Moreover, SSD with 100 NFEs can outperform state-of-the-art zero-shot methods in certain tasks.
Sparse linear regression is a central problem in high-dimensional statistics. We study the correlated random design setting, where the covariates are drawn from a multivariate Gaussian $N(0,\Sigma)$, and we seek an estimator with small excess risk. If the true signal is $t$-sparse, information-theoretically, it is possible to achieve strong recovery guarantees with only $O(t\log n)$ samples. However, computationally efficient algorithms have sample complexity linear in (some variant of) the condition number of $\Sigma$. Classical algorithms such as the Lasso can require significantly more samples than necessary even if there is only a single sparse approximate dependency among the covariates. We provide a polynomial-time algorithm that, given $\Sigma$, automatically adapts the Lasso to tolerate a small number of approximate dependencies. In particular, we achieve near-optimal sample complexity for constant sparsity and if $\Sigma$ has few ``outlier'' eigenvalues. Our algorithm fits into a broader framework of feature adaptation for sparse linear regression with ill-conditioned covariates. With this framework, we additionally provide the first polynomial-factor improvement over brute-force search for constant sparsity $t$ and arbitrary covariance $\Sigma$.
This paper examines robust functional data analysis for discretely observed data, where the underlying process encompasses various distributions, such as heavy tail, skewness, or contaminations. We propose a unified robust concept of functional mean, covariance, and principal component analysis, while existing methods and definitions often differ from one another or only address fully observed functions (the ``ideal'' case). Specifically, the robust functional mean can deviate from its non-robust counterpart and is estimated using robust local linear regression. Moreover, we define a new robust functional covariance that shares useful properties with the classic version. Importantly, this covariance yields the robust version of Karhunen--Lo\`eve decomposition and corresponding principal components beneficial for dimension reduction. The theoretical results of the robust functional mean, covariance, and eigenfunction estimates, based on pooling discretely observed data (ranging from sparse to dense), are established and aligned with their non-robust counterparts. The newly-proposed perturbation bounds for estimated eigenfunctions, with indexes allowed to grow with sample size, lay the foundation for further modeling based on robust functional principal component analysis.
PCA-Net is a recently proposed neural operator architecture which combines principal component analysis (PCA) with neural networks to approximate operators between infinite-dimensional function spaces. The present work develops approximation theory for this approach, improving and significantly extending previous work in this direction: First, a novel universal approximation result is derived, under minimal assumptions on the underlying operator and the data-generating distribution. Then, two potential obstacles to efficient operator learning with PCA-Net are identified, and made precise through lower complexity bounds; the first relates to the complexity of the output distribution, measured by a slow decay of the PCA eigenvalues. The other obstacle relates to the inherent complexity of the space of operators between infinite-dimensional input and output spaces, resulting in a rigorous and quantifiable statement of the curse of dimensionality. In addition to these lower bounds, upper complexity bounds are derived. A suitable smoothness criterion is shown to ensure an algebraic decay of the PCA eigenvalues. Furthermore, it is shown that PCA-Net can overcome the general curse of dimensionality for specific operators of interest, arising from the Darcy flow and the Navier-Stokes equations.
In this paper, we study the deep Ritz method for solving the linear elasticity equation from a numerical analysis perspective. A modified Ritz formulation using the $H^{1/2}(\Gamma_D)$ norm is introduced and analyzed for linear elasticity equation in order to deal with the (essential) Dirichlet boundary condition. We show that the resulting deep Ritz method provides the best approximation among the set of deep neural network (DNN) functions with respect to the ``energy'' norm. Furthermore, we demonstrate that the total error of the deep Ritz simulation is bounded by the sum of the network approximation error and the numerical integration error, disregarding the algebraic error. To effectively control the numerical integration error, we propose an adaptive quadrature-based numerical integration technique with a residual-based local error indicator. This approach enables efficient approximation of the modified energy functional. Through numerical experiments involving smooth and singular problems, as well as problems with stress concentration, we validate the effectiveness and efficiency of the proposed deep Ritz method with adaptive quadrature.
The sheer volume of data has been generated from the fields of computer vision, medical imageology, astronomy, web information tracking, etc., which hampers the implementation of various statistical algorithms. An efficient and popular method to reduce the computation burden is subsampling. Previous studies focused on subsampling algorithms for non-regularized regression such as ordinary least square regression and logistic regression. In this article, we introduce a flexible and efficient subsampling algorithm based on A-optimality for Elastic-net regression. Theoretical results are given describing the statistical properties of the proposed algorithm. Four numerical examples are given to examine the promising empirical characteristics of the technique. Finally, the algorithm is applied in Blog and 2D-CT slice datasets in reality and has shown a significant lead over the traditional leveraging subsampling method.
These notes are an overview of some classical linear methods in Multivariate Data Analysis. This is a good old domain, well established since the 60's, and refreshed timely as a key step in statistical learning. It can be presented as part of statistical learning, or as dimensionality reduction with a geometric flavor. Both approaches are tightly linked: it is easier to learn patterns from data in low dimensional spaces than in high-dimensional spaces. It is shown how a diversity of methods and tools boil down to a single core methods, PCA with SVD, such that the efforts to optimize codes for analyzing massive data sets like distributed memory and task-based programming or to improve the efficiency of the algorithms like Randomised SVD can focus on this shared core method, and benefit to all methods.
We develop a class of data-driven generative models that approximate the solution operator for parameter-dependent partial differential equations (PDE). We propose a novel probabilistic formulation of the operator learning problem based on recently developed generative denoising diffusion probabilistic models (DDPM) in order to learn the input-to-output mapping between problem parameters and solutions of the PDE. To achieve this goal we modify DDPM to supervised learning in which the solution operator for the PDE is represented by a class of conditional distributions. The probabilistic formulation combined with DDPM allows for an automatic quantification of confidence intervals for the learned solutions. Furthermore, the framework is directly applicable for learning from a noisy data set. We compare computational performance of the developed method with the Fourier Network Operators (FNO). Our results show that our method achieves comparable accuracy and recovers the noise magnitude when applied to data sets with outputs corrupted by additive noise.
This paper investigates Gaussian copula mixture models (GCMM), which are an extension of Gaussian mixture models (GMM) that incorporate copula concepts. The paper presents the mathematical definition of GCMM and explores the properties of its likelihood function. Additionally, the paper proposes extended Expectation Maximum algorithms to estimate parameters for the mixture of copulas. The marginal distributions corresponding to each component are estimated separately using nonparametric statistical methods. In the experiment, GCMM demonstrates improved goodness-of-fitting compared to GMM when using the same number of clusters. Furthermore, GCMM has the ability to leverage un-synchronized data across dimensions for more comprehensive data analysis.
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