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Iterative regularization exploits the implicit bias of an optimization algorithm to regularize ill-posed problems. Constructing algorithms with such built-in regularization mechanisms is a classic challenge in inverse problems but also in modern machine learning, where it provides both a new perspective on algorithms analysis, and significant speed-ups compared to explicit regularization. In this work, we propose and study the first iterative regularization procedure able to handle biases described by non smooth and non strongly convex functionals, prominent in low-complexity regularization. Our approach is based on a primal-dual algorithm of which we analyze convergence and stability properties, even in the case where the original problem is unfeasible. The general results are illustrated considering the special case of sparse recovery with the $\ell_1$ penalty. Our theoretical results are complemented by experiments showing the computational benefits of our approach.

We propose a new wavelet-based method for density estimation when the data are size-biased. More specifically, we consider a power of the density of interest, where this power exceeds 1/2. Warped wavelet bases are employed, where warping is attained by some continuous cumulative distribution function. This can be seen as a general framework in which the conventional orthonormal wavelet estimation is the case where warping distribution is the standard uniform c.d.f. We show that both linear and nonlinear wavelet estimators are consistent, with optimal and/or near-optimal rates. Monte Carlo simulations are performed to compare four special settings which are easy to interpret in practice. An application with a real dataset on fatal traffic accidents involving alcohol illustrates the method. We observe that warped bases provide more flexible and superior estimates for both simulated and real data. Moreover, we find that estimating the power of a density (for instance, its square root) further improves the results.

Plug-and-Play (PnP) methods solve ill-posed inverse problems through iterative proximal algorithms by replacing a proximal operator by a denoising operation. When applied with deep neural network denoisers, these methods have shown state-of-the-art visual performance for image restoration problems. However, their theoretical convergence analysis is still incomplete. Most of the existing convergence results consider nonexpansive denoisers, which is non-realistic, or limit their analysis to strongly convex data-fidelity terms in the inverse problem to solve. Recently, it was proposed to train the denoiser as a gradient descent step on a functional parameterized by a deep neural network. Using such a denoiser guarantees the convergence of the PnP version of the Half-Quadratic-Splitting (PnP-HQS) iterative algorithm. In this paper, we show that this gradient denoiser can actually correspond to the proximal operator of another scalar function. Given this new result, we exploit the convergence theory of proximal algorithms in the nonconvex setting to obtain convergence results for PnP-PGD (Proximal Gradient Descent) and PnP-ADMM (Alternating Direction Method of Multipliers). When built on top of a smooth gradient denoiser, we show that PnP-PGD and PnP-ADMM are convergent and target stationary points of an explicit functional. These convergence results are confirmed with numerical experiments on deblurring, super-resolution and inpainting.

Partial differential equations (PDEs) with spatially-varying coefficients arise throughout science and engineering, modeling rich heterogeneous material behavior. Yet conventional PDE solvers struggle with the immense complexity found in nature, since they must first discretize the problem -- leading to spatial aliasing, and global meshing/sampling that is costly and error-prone. We describe a method that approximates neither the domain geometry, the problem data, nor the solution space, providing the exact solution (in expectation) even for problems with extremely detailed geometry and intricate coefficients. Our main contribution is to extend the walk on spheres (WoS) algorithm from constant- to variable-coefficient problems, by drawing on techniques from volumetric rendering. In particular, an approach inspired by null-scattering yields unbiased Monte Carlo estimators for a large class of 2nd-order elliptic PDEs, which share many attractive features with Monte Carlo rendering: no meshing, trivial parallelism, and the ability to evaluate the solution at any point without solving a global system of equations.

It is common practice to use Laplace approximations to compute marginal likelihoods in Bayesian versions of generalised linear models (GLM). Marginal likelihoods combined with model priors are then used in different search algorithms to compute the posterior marginal probabilities of models and individual covariates. This allows performing Bayesian model selection and model averaging. For large sample sizes, even the Laplace approximation becomes computationally challenging because the optimisation routine involved needs to evaluate the likelihood on the full set of data in multiple iterations. As a consequence, the algorithm is not scalable for large datasets. To address this problem, we suggest using a version of a popular batch stochastic gradient descent (BSGD) algorithm for estimating the marginal likelihood of a GLM by subsampling from the data. We further combine the algorithm with Markov chain Monte Carlo (MCMC) based methods for Bayesian model selection and provide some theoretical results on the convergence of the estimates. Finally, we report results from experiments illustrating the performance of the proposed algorithm.

We are concerned with the problem of decomposing the parameter space of a parametric system of polynomial equations, and possibly some polynomial inequality constraints, with respect to the number of real solutions that the system attains. Previous studies apply a two step approach to this problem, where first the discriminant variety of the system is computed via a Groebner Basis (GB), and then a Cylindrical Algebraic Decomposition (CAD) of this is produced to give the desired computation. However, even on some reasonably small applied examples this process is too expensive, with computation of the discriminant variety alone infeasible. In this paper we develop new approaches to build the discriminant variety using resultant methods (the Dixon resultant and a new method using iterated univariate resultants). This reduces the complexity compared to GB and allows for a previous infeasible example to be tackled. We demonstrate the benefit by giving a symbolic solution to a problem from population dynamics - the analysis of the steady states of three connected populations which exhibit Allee effects - which previously could only be tackled numerically.

Deep neural networks are powerful tools for approximating functions, and they are applied to successfully solve various problems in many fields. In this paper, we propose a neural network-based numerical method to solve partial differential equations. In this new framework, the method is designed on weak formulations, and the unknown functions are approximated by deep neural networks and test functions can be chosen by different approaches, for instance, basis functions of finite element methods, neural networks, and so on. Because the spaces of trial function and test function are different, we name this new approach by Deep Petrov-Galerkin Method (DPGM). The resulted linear system is not necessarily to be symmetric and square, so the discretized problem is solved by a least-square method. Take the Poisson problem as an example, mixed DPGMs based on several mixed formulations are proposed and studied as well. In addition, we apply the DPGM to solve two classical time-dependent problems based on the space-time approach, that is, the unknown function is approximated by a neural network, in which temporal variable and spatial variables are treated equally, and the initial conditions are regarded as boundary conditions for the space-time domain. Finally, several numerical examples are presented to show the performance of the DPGMs, and we observe that this new method outperforms traditional numerical methods in several aspects.

The scalar auxiliary variable (SAV) approach \cite{shen2018scalar} and its generalized version GSAV proposed in \cite{huang2020highly} are very popular methods to construct efficient and accurate energy stable schemes for nonlinear dissipative systems. However, the discrete value of the SAV is not directly linked to the free energy of the dissipative system, and may lead to inaccurate solutions if the time step is not sufficiently small. Inspired by the relaxed SAV method proposed in \cite{jiang2022improving} for gradient flows, we propose in this paper a generalized SAV approach with relaxation (R-GSAV) for general dissipative systems. The R-GSAV approach preserves all the advantages of the GSAV appraoch, in addition, it dissipates a modified energy that is directly linked to the original free energy. We prove that the $k$-th order implicit-explicit (IMEX) schemes based on R-GSAV are unconditionally energy stable, and we carry out a rigorous error analysis for $k=1,2,3,4,5$. We present ample numerical results to demonstrate the improved accuracy and effectiveness of the R-GSAV approach.

We propose a dimension reduction technique for Bayesian inverse problems with nonlinear forward operators, non-Gaussian priors, and non-Gaussian observation noise. The likelihood function is approximated by a ridge function, i.e., a map which depends non-trivially only on a few linear combinations of the parameters. We build this ridge approximation by minimizing an upper bound on the Kullback--Leibler divergence between the posterior distribution and its approximation. This bound, obtained via logarithmic Sobolev inequalities, allows one to certify the error of the posterior approximation. Computing the bound requires computing the second moment matrix of the gradient of the log-likelihood function. In practice, a sample-based approximation of the upper bound is then required. We provide an analysis that enables control of the posterior approximation error due to this sampling. Numerical and theoretical comparisons with existing methods illustrate the benefits of the proposed methodology.

The use of orthogonal projections on high-dimensional input and target data in learning frameworks is studied. First, we investigate the relations between two standard objectives in dimension reduction, maximizing variance and preservation of pairwise relative distances. The derivation of their asymptotic correlation and numerical experiments tell that a projection usually cannot satisfy both objectives. In a standard classification problem we determine projections on the input data that balance them and compare subsequent results. Next, we extend our application of orthogonal projections to deep learning frameworks. We introduce new variational loss functions that enable integration of additional information via transformations and projections of the target data. In two supervised learning problems, clinical image segmentation and music information classification, the application of the proposed loss functions increase the accuracy.