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We introduce a priori Sobolev-space error estimates for the solution of nonlinear, and possibly parametric, PDEs using Gaussian process and kernel based methods. The primary assumptions are: (1) a continuous embedding of the reproducing kernel Hilbert space of the kernel into a Sobolev space of sufficient regularity; and (2) the stability of the differential operator and the solution map of the PDE between corresponding Sobolev spaces. The proof is articulated around Sobolev norm error estimates for kernel interpolants and relies on the minimizing norm property of the solution. The error estimates demonstrate dimension-benign convergence rates if the solution space of the PDE is smooth enough. We illustrate these points with applications to high-dimensional nonlinear elliptic PDEs and parametric PDEs. Although some recent machine learning methods have been presented as breaking the curse of dimensionality in solving high-dimensional PDEs, our analysis suggests a more nuanced picture: there is a trade-off between the regularity of the solution and the presence of the curse of dimensionality. Therefore, our results are in line with the understanding that the curse is absent when the solution is regular enough.

Let a polytope $P$ be defined by a system $A x \leq b$. We consider the problem of counting the number of integer points inside $P$, assuming that $P$ is $\Delta$-modular, where the polytope $P$ is called $\Delta$-modular if all the rank sub-determinants of $A$ are bounded by $\Delta$ in the absolute value. We present a new FPT-algorithm, parameterized by $\Delta$ and by the maximal number of vertices in $P$, where the maximum is taken by all r.h.s. vectors $b$. We show that our algorithm is more efficient for $\Delta$-modular problems than the approach of A. Barvinok et al. To this end, we do not directly compute the short rational generating function for $P \cap Z^n$, which is commonly used for the considered problem. Instead, we use the dynamic programming principle to compute its particular representation in the form of exponential series that depends on a single variable. We completely do not rely to the Barvinok's unimodular sign decomposition technique. Using our new complexity bound, we consider different special cases that may be of independent interest. For example, we give FPT-algorithms for counting the integer points number in $\Delta$-modular simplices and similar polytopes that have $n + O(1)$ facets. As a special case, for any fixed $m$, we give an FPT-algorithm to count solutions of the unbounded $m$-dimensional $\Delta$-modular subset-sum problem.

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.

Many real-world systems modeled using differential equations involve unknown or uncertain parameters. Standard approaches to address parameter estimation inverse problems in this setting typically focus on estimating constants; yet some unobservable system parameters may vary with time without known evolution models. In this work, we propose a novel approximation method inspired by the Fourier series to estimate time-varying parameters in deterministic dynamical systems modeled with ordinary differential equations. Using ensemble Kalman filtering in conjunction with Fourier series-based approximation models, we detail two possible implementation schemes for sequentially updating the time-varying parameter estimates given noisy observations of the system states. We demonstrate the capabilities of the proposed approach in estimating periodic parameters, both when the period is known and unknown, as well as non-periodic time-varying parameters of different forms with several computed examples using a forced harmonic oscillator. Results emphasize the importance of the frequencies and number of approximation model terms on the time-varying parameter estimates and corresponding dynamical system predictions.

It is known that standard stochastic Galerkin methods encounter challenges when solving partial differential equations with high dimensional random inputs, which are typically caused by the large number of stochastic basis functions required. It becomes crucial to properly choose effective basis functions, such that the dimension of the stochastic approximation space can be reduced. In this work, we focus on the stochastic Galerkin approximation associated with generalized polynomial chaos (gPC), and explore the gPC expansion based on the analysis of variance (ANOVA) decomposition. A concise form of the gPC expansion is presented for each component function of the ANOVA expansion, and an adaptive ANOVA procedure is proposed to construct the overall stochastic Galerkin system. Numerical results demonstrate the efficiency of our proposed adaptive ANOVA stochastic Galerkin method.

We investigate random matrices whose entries are obtained by applying a nonlinear kernel function to pairwise inner products between $n$ independent data vectors, drawn uniformly from the unit sphere in $\mathbb{R}^d$. This study is motivated by applications in machine learning and statistics, where these kernel random matrices and their spectral properties play significant roles. We establish the weak limit of the empirical spectral distribution of these matrices in a polynomial scaling regime, where $d, n \to \infty$ such that $n / d^\ell \to \kappa$, for some fixed $\ell \in \mathbb{N}$ and $\kappa \in (0, \infty)$. Our findings generalize an earlier result by Cheng and Singer, who examined the same model in the linear scaling regime (with $\ell = 1$). Our work reveals an equivalence principle: the spectrum of the random kernel matrix is asymptotically equivalent to that of a simpler matrix model, constructed as a linear combination of a (shifted) Wishart matrix and an independent matrix sampled from the Gaussian orthogonal ensemble. The aspect ratio of the Wishart matrix and the coefficients of the linear combination are determined by $\ell$ and the expansion of the kernel function in the orthogonal Hermite polynomial basis. Consequently, the limiting spectrum of the random kernel matrix can be characterized as the free additive convolution between a Marchenko-Pastur law and a semicircle law. We also extend our results to cases with data vectors sampled from isotropic Gaussian distributions instead of spherical distributions.

This paper investigates the problem of efficient constrained global optimization of composite functions (hybrid models) whose input is an expensive black-box function with vector-valued outputs and noisy observations, which often arises in real-world science, engineering, manufacturing, and control applications. We propose a novel algorithm, Constrained Upper Quantile Bound (CUQB), to solve such problems that directly exploits the composite structure of the objective and constraint functions that we show leads substantially improved sampling efficiency. CUQB is conceptually simple and avoids the constraint approximations used by previous methods. Although the CUQB acquisition function is not available in closed form, we propose a novel differentiable stochastic approximation that enables it to be efficiently maximized. We further derive bounds on the cumulative regret and constraint violation. Since these bounds depend sublinearly on the number of iterations under some regularity assumptions, we establish explicit bounds on the convergence rate to the optimal solution of the original constrained problem. In contrast to existing methods, CUQB further incorporates a simple infeasibility detection scheme, which we prove triggers in a finite number of iterations (with high probability) when the original problem is infeasible. Numerical experiments on several test problems, including environmental model calibration and real-time reactor optimization, show that CUQB significantly outperforms traditional Bayesian optimization in both constrained and unconstrained cases. Furthermore, compared to other state-of-the-art methods that exploit composite structure, CUQB achieves competitive empirical performance while also providing substantially improved theoretical guarantees.

We propose a least-squares formulation for parabolic equations in the natural $L^2(0,T;V^*)\times H$ norm which avoids regularity assumptions on the data of the problem. For the abstract heat equation the resulting bilinear form then is symmetric, continuous, and coercive. This among other things paves the ground for classical space-time a priori and a posteriori Galerkin frameworks for the numerical approximation of the solution of the abstract heat equation. Moreover, the approach is applicable in e.g. optimal control problems with (parametrized) parabolic equations, and for certification of reduced basis methods with parabolic equations.

Recently, $(\beta,\gamma)$-Chebyshev functions, as well as the corresponding zeros, have been introduced as a generalization of classical Chebyshev polynomials of the first kind and related roots. They consist of a family of orthogonal functions on a subset of $[-1,1]$, which indeed satisfies a three-term recurrence formula. In this paper we present further properties, which are proven to comply with various results about classical orthogonal polynomials. In addition, we prove a conjecture concerning the Lebesgue constant's behavior related to the roots of $(\beta,\gamma)$-Chebyshev functions in the corresponding orthogonality interval.

We study the computational scalability of a Gaussian process (GP) framework for solving general nonlinear partial differential equations (PDEs). This framework transforms solving PDEs to solving quadratic optimization problem with nonlinear constraints. Its complexity bottleneck lies in computing with dense kernel matrices obtained from pointwise evaluations of the covariance kernel of the GP and its partial derivatives at collocation points. We present a sparse Cholesky factorization algorithm for such kernel matrices based on the near-sparsity of the Cholesky factor under a new ordering of Diracs and derivative measurements. We rigorously identify the sparsity pattern and quantify the exponentially convergent accuracy of the corresponding Vecchia approximation of the GP, which is optimal in the Kullback-Leibler divergence. This enables us to compute $\epsilon$-approximate inverse Cholesky factors of the kernel matrices with complexity $O(N\log^d(N/\epsilon))$ in space and $O(N\log^{2d}(N/\epsilon))$ in time. With the sparse factors, gradient-based optimization methods become scalable. Furthermore, we can use the oftentimes more efficient Gauss-Newton method, for which we apply the conjugate gradient algorithm with the sparse factor of a reduced kernel matrix as a preconditioner to solve the linear system. We numerically illustrate our algorithm's near-linear space/time complexity for a broad class of nonlinear PDEs such as the nonlinear elliptic, Burgers, and Monge-Amp\`ere equations. In summary, we provide a fast, scalable, and accurate method for solving general PDEs with GPs.