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We design and compute first-order implicit-in-time variational schemes with high-order spatial discretization for initial value gradient flows in generalized optimal transport metric spaces. We first review some examples of gradient flows in generalized optimal transport spaces from the Onsager principle. We then use a one-step time relaxation optimization problem for time-implicit schemes, namely generalized Jordan-Kinderlehrer-Otto schemes. Their minimizing systems satisfy implicit-in-time schemes for initial value gradient flows with first-order time accuracy. We adopt the first-order optimization scheme ALG2 (Augmented Lagrangian method) and high-order finite element methods in spatial discretization to compute the one-step optimization problem. This allows us to derive the implicit-in-time update of initial value gradient flows iteratively. We remark that the iteration in ALG2 has a simple-to-implement point-wise update based on optimal transport and Onsager's activation functions. The proposed method is unconditionally stable for convex cases. Numerical examples are presented to demonstrate the effectiveness of the methods in two-dimensional PDEs, including Wasserstein gradient flows, Fisher--Kolmogorov-Petrovskii-Piskunov equation, and two and four species reversible reaction-diffusion systems.

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Estimating signals underlying noisy data is a significant problem in statistics and engineering. Numerous estimators are available in the literature, depending on the observation model and estimation criterion. This paper introduces a framework that estimates the shape of the unknown signal and the signal itself. The approach utilizes a peak-persistence diagram (PPD), a novel tool that explores the dominant peaks in the potential solutions and estimates the function's shape, which includes the number of internal peaks and valleys. It then imposes this shape constraint on the search space and estimates the signal from partially-aligned data. This approach balances two previous solutions: averaging without alignment and averaging with complete elastic alignment. From a statistical viewpoint, it achieves an optimal estimator under a model with both additive noise and phase or warping noise. We also present a computationally-efficient procedure for implementing this solution and demonstrate its effectiveness on several simulated and real examples. Notably, this geometric approach outperforms the current state-of-the-art in the field.

In this paper, we study the computation of the rate-distortion-perception function (RDPF) for discrete memoryless sources subject to a single-letter average distortion constraint and a perception constraint that belongs to the family of f-divergences. For that, we leverage the fact that RDPF, assuming mild regularity conditions on the perception constraint, forms a convex programming problem. We first develop parametric characterizations of the optimal solution and utilize them in an alternating minimization approach for which we prove convergence guarantees. The resulting structure of the iterations of the alternating minimization approach renders the implementation of a generalized Blahut-Arimoto (BA) type of algorithm infeasible. To overcome this difficulty, we propose a relaxed formulation of the structure of the iterations in the alternating minimization approach, which allows for the implementation of an approximate iterative scheme. This approximation is shown, via the derivation of necessary and sufficient conditions, to guarantee convergence to a globally optimal solution. We also provide sufficient conditions on the distortion and the perception constraints which guarantee that our algorithm converges exponentially fast. We corroborate our theoretical results with numerical simulations, and we draw connections with existing results.

The ParaOpt algorithm was recently introduced as a time-parallel solver for optimal-control problems with a terminal-cost objective, and convergence results have been presented for the linear diffusive case with implicit-Euler time integrators. We reformulate ParaOpt for tracking problems and provide generalized convergence analyses for both objectives. We focus on linear diffusive equations and prove convergence bounds that are generic in the time integrators used. For large problem dimensions, ParaOpt's performance depends crucially on having a good preconditioner to solve the arising linear systems. For the case where ParaOpt's cheap, coarse-grained propagator is linear, we introduce diagonalization-based preconditioners inspired by recent advances in the ParaDiag family of methods. These preconditioners not only lead to a weakly-scalable ParaOpt version, but are themselves invertible in parallel, making maximal use of available concurrency. They have proven convergence properties in the linear diffusive case that are generic in the time discretization used, similarly to our ParaOpt results. Numerical results confirm that the iteration count of the iterative solvers used for ParaOpt's linear systems becomes constant in the limit of an increasing processor count. The paper is accompanied by a sequential MATLAB implementation.

A novel algorithm is proposed for quantitative comparisons between compact surfaces embedded in the three-dimensional Euclidian space. The key idea is to identify those objects with the associated surface measures and compute a weak distance between them using the Fourier transform on the ambient space. In particular, the inhomogeneous Sobolev norm of negative order for a difference between two surface measures is evaluated via the Plancherel theorem, which amounts to approximating an weighted integral norm of smooth data on the frequency space. This approach allows several advantages including high accuracy due to fast-converging numerical quadrature rules, acceleration by the nonuniform fast Fourier transform, and parallelization on many-core processors. In numerical experiments, the 2-sphere, which is an example whose Fourier transform is explicitly known, is compared with its icosahedral discretization, and it is observed that the piecewise linear approximations converge to the smooth object at the quadratic rate up to small truncation.

Diffusion models have emerged as a key pillar of foundation models in visual domains. One of their critical applications is to universally solve different downstream inverse tasks via a single diffusion prior without re-training for each task. Most inverse tasks can be formulated as inferring a posterior distribution over data (e.g., a full image) given a measurement (e.g., a masked image). This is however challenging in diffusion models since the nonlinear and iterative nature of the diffusion process renders the posterior intractable. To cope with this challenge, we propose a variational approach that by design seeks to approximate the true posterior distribution. We show that our approach naturally leads to regularization by denoising diffusion process (RED-Diff) where denoisers at different timesteps concurrently impose different structural constraints over the image. To gauge the contribution of denoisers from different timesteps, we propose a weighting mechanism based on signal-to-noise-ratio (SNR). Our approach provides a new variational perspective for solving inverse problems with diffusion models, allowing us to formulate sampling as stochastic optimization, where one can simply apply off-the-shelf solvers with lightweight iterates. Our experiments for image restoration tasks such as inpainting and superresolution demonstrate the strengths of our method compared with state-of-the-art sampling-based diffusion models.

Profile likelihoods are rarely used in geostatistical models due to the computational burden imposed by repeated decompositions of large variance matrices. Accounting for uncertainty in covariance parameters can be highly consequential in geostatistical models as some covariance parameters are poorly identified, the problem is severe enough that the differentiability parameter of the Matern correlation function is typically treated as fixed. The problem is compounded with anisotropic spatial models as there are two additional parameters to consider. In this paper, we make the following contributions: 1, A methodology is created for profile likelihoods for Gaussian spatial models with Mat\'ern family of correlation functions, including anisotropic models. This methodology adopts a novel reparametrization for generation of representative points, and uses GPUs for parallel profile likelihoods computation in software implementation. 2, We show the profile likelihood of the Mat\'ern shape parameter is often quite flat but still identifiable, it can usually rule out very small values. 3, Simulation studies and applications on real data examples show that profile-based confidence intervals of covariance parameters and regression parameters have superior coverage to the traditional standard Wald type confidence intervals.

Most inverse problems from physical sciences are formulated as PDE-constrained optimization problems. This involves identifying unknown parameters in equations by optimizing the model to generate PDE solutions that closely match measured data. The formulation is powerful and widely used in many sciences and engineering fields. However, one crucial assumption is that the unknown parameter must be deterministic. In reality, however, many problems are stochastic in nature, and the unknown parameter is random. The challenge then becomes recovering the full distribution of this unknown random parameter. It is a much more complex task. In this paper, we examine this problem in a general setting. In particular, we conceptualize the PDE solver as a push-forward map that pushes the parameter distribution to the generated data distribution. This way, the SDE-constrained optimization translates to minimizing the distance between the generated distribution and the measurement distribution. We then formulate a gradient-flow equation to seek the ground-truth parameter probability distribution. This opens up a new paradigm for extending many techniques in PDE-constrained optimization to that for systems with stochasticity.

We propose an easy-to-implement iterative method for resolving the implicit (or semi-implicit) schemes arising in solving reaction-diffusion (RD) type equations. We formulate the nonlinear time implicit scheme as a min-max saddle point problem and then apply the primal-dual hybrid gradient (PDHG) method. Suitable precondition matrices are applied to the PDHG method to accelerate the convergence of algorithms under different circumstances. Furthermore, our method is applicable to various discrete numerical schemes with high flexibility. From various numerical examples tested in this paper, the proposed method converges properly and can efficiently produce numerical solutions with sufficient accuracy.

The method of characteristics is a classical method for gaining understanding in the solution of a partial differential equation. It has recently been applied to the adjoint equations of the 2D Euler equations and the first goal of this paper is to present a linear algebra analysis that greatly simplifies the discussion of the number of independant characteristic equations satisfied along a family of characteristic curves. This method may be applied for both the direct and the adjoint problem and our second goal is to directly derive in conservative variables the characteristic equations of 2D compressible inviscid flows. Finally, the theoretical results are assessed for a nozzle flow with a classical scheme and its dual consistent discrete adjoint.

The purpose of this work is to present an improved energy conservation method for hyperelastodynamic contact problems based on specific normal compliance conditions. In order to determine this Improved Normal Compliance (INC) law, we use a Moreau--Yosida $\alpha$-regularization to approximate the unilateral contact law. Then, based on the work of Hauret--LeTallec \cite{hauret2006energy}, we propose in the discrete framework a specific approach allowing to respect the energy conservation of the system in adequacy with the continuous case. This strategy (INC) is characterized by a conserving behavior for frictionless impacts and admissible dissipation for friction phenomena while limiting penetration. Then, we detail the numerical treatment within the framework of the semi-smooth Newton method and primal-dual active set strategy for the normal compliance conditions with friction. We finally provide some numerical experiments to bring into light the energy conservation and the efficiency of the INC method by comparing with different classical methods from the literature throught representative contact problems.

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