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Wolfgang Dahmen

Publications and source records attributed to Wolfgang Dahmen.

At least 19 recordsLinked to original sources

Global error estimators for parametric monotone nonlinearities and neural approximations

We construct computable error estimators, which double as loss functions for neural networks, for a class of parametric nonlinear partial differential equations with a monotonicity property, and prove that they are globally reliable and efficient. The value of such a loss function is bounded above and below by the squared error in the natural trial norm, for every trial function, not merely for those near the exact solution; this global property rests on monotonicity. The construction rests on splitting the nonlinear operator into a linear part and a strongly monotone closure, and on measuring the linear residual in a discrete dual norm. Since the closure contributes a dual norm that admits no closed form when the trial norm is stronger than an $L_2$ norm, the estimator is built around a computable surrogate for it, required only to satisfy a pairing bound and a Lipschitz bound. The main theorem then yields two-sided bounds with explicit constants and covers two instances. A first-order system least-squares estimator on conforming trial spaces is the first instance studied: its two-sided bound holds on the whole trial space and therefore applies to arbitrary approximations, including those not in a discrete finite element space. The second instance is a discontinuous Petrov-Galerkin estimator on trial spaces of finite element functions for each parameter value, built with broken test spaces, for which no conformity is required and the dual norm is computed by independent element-local problems. All assumptions are verified for a model class of nonlinear fluxes, with the constants tracked explicitly in terms of the parameter range. Being computable for an arbitrary input, both estimators serve as variationally correct loss functions for neural network approximations of parameter-to-solution maps.

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DPG loss functions for learning parameter-to-solution maps by neural networks

We develop, analyze, and experimentally explore residual-based loss functions for machine learning of parameter-to-solution maps in the context of parameter-dependent families of partial differential equations (PDEs). Our primary concern is on rigorous accuracy certification to enhance the prediction capability of the resulting deep neural network reduced models. This is achieved by the use of variationally correct loss functions. Through one specific example of an elliptic PDE, details for establishing the variational correctness of a loss function from an ultraweak Discontinuous Petrov Galerkin (DPG) discretization are worked out. Despite the focus on the example, the proposed concepts apply to a much wider scope of problems, namely problems for which stable DPG formulations are available. The issue of high-contrast diffusion fields and ensuing difficulties with degrading ellipticity are discussed. Both numerical results and theoretical arguments illustrate that for high-contrast diffusion parameters the proposed DPG loss functions deliver much more robust performance than simpler least-squares losses.

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Sampling and reconstruction of convex functions

We discuss optimal recovery for classes of multivariate convex functions from given point samples, as well as the sampling numbers of these classes, corresponding to optimal sample choices. Upper and lower bounds for either variant are established when the reconstruction error is measured in $L_p$ for $1\leq p\leq \infty$. These bounds match, sometimes up to logarithmic factors, and therefore characterize the respective optimal rate of decay. For classical smoothness classes such as Sobolev, Hölder or Besov spaces, it is well known that the optimal decay rate of sampling numbers can be achieved by sampling on uniform tensor product grids and using linear methods of reconstruction, such as piecewise polynomial interpolation. One of the main findings in this paper is that for classes of convex functions, these procedures generally produce suboptimal rates, except when $p=1$ and $p=\infty$, and are outperformed by nonlinear reconstruction methods that do not employ tensor product grids.

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Preconditioning and Numerical Stability in Neural Network Training for Parametric PDEs

In the context of training neural network-based approximations of solutions of parameter-dependent PDEs, we investigate the effect of preconditioning via well-conditioned frame representations of operators and demonstrate a significant improvement on the performance of standard training methods. We also observe that standard representations of preconditioned matrices are insufficient for obtaining numerical stability and propose a generally applicable form of stable representations that enables computations with single- and half-precision floating point numbers without loss of precision.

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Variationally correct operator learning: Reduced basis neural operator with a posteriori error estimation

Minimizing PDE-residual losses is a common strategy to promote physical consistency in neural operators. However, standard formulations often lack variational correctness, meaning that small residuals do not guarantee small solution errors due to the use of non-compliant norms or ad hoc penalty terms for boundary conditions. This work develops a variationally correct operator learning framework by constructing first-order system least-squares (FOSLS) objectives whose values are provably equivalent to the solution error in PDE-induced norms. We demonstrate this framework on stationary diffusion and linear elasticity, incorporating mixed Dirichlet-Neumann boundary conditions via variational lifts to preserve norm equivalence without inconsistent penalties. To ensure the function space conformity required by the FOSLS loss, we propose a Reduced Basis Neural Operator (RBNO). The RBNO predicts coefficients for a pre-computed, conforming reduced basis, thereby ensuring variational stability by design while enabling efficient training. We provide a rigorous convergence analysis that bounds the total error by the sum of finite element discretization bias, reduced basis truncation error, neural network approximation error, and statistical estimation errors arising from finite sampling and optimization. Numerical benchmarks validate these theoretical bounds and demonstrate that the proposed approach achieves superior accuracy in PDE-compliant norms compared to standard baselines, while the residual loss serves as a reliable, computable a posteriori error estimator.

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Expansive Natural Neural Gradient Flows for Energy Minimization

This paper develops expansive gradient dynamics in deep neural network-induced mapping spaces. Specifically, we generate tools and concepts for minimizing a class of energy functionals in an abstract Hilbert space setting covering a wide scope of applications such as PDEs-based inverse problems and supervised learning. The approach hinges on a Hilbert space metric in the full diffeomorphism mapping space, which could be viewed as a generalized Wasserstein-2 metric. We then study a projection gradient descent method within deep neural network parameterized sets. More importantly, we develop an adaptation and expanding strategy to step-by-step enlarge the deep neural network structures. In particular, the expansion mechanism aims to enhance the alignment of the neural manifold induced natural gradient direction as well as possible with the ideal Hilbert space gradient descent direction leveraging the fact that we can evaluate projections of the Hilbert space gradient. We demonstrate the efficacy of the proposed strategy for several simple model problems for energies arising in the context of supervised learning, model reduction, or inverse problems. In particular, we highlight the importance of assembling the neural flow matrix based on the inner product for the ambient Hilbert space. The actual algorithms are the simplest specifications of a broader spectrum based on a correspondingly wider discussion, postponing a detailed analysis to forthcoming work.

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Accuracy Controlled Schemes for the Eigenvalue Problem of the Radiative Transfer Equation

The criticality problem in nuclear engineering asks for the principal eigenpair of a Boltzmann operator describing neutron transport in a reactor core. Being able to reliably design, and control such reactors requires assessing these quantities within quantifiable accuracy tolerances. In this paper we propose a paradigm that deviates from the common practice of approximately solving the corresponding spectral problem with a fixed, presumably sufficiently fine discretization. Instead, the present approach is based on first contriving iterative schemes, formulated in function space, that are shown to converge at a quantitative rate without assuming any a priori excess regularity properties, and that exploit only properties of the optical parameters in the underlying radiative transfer model. We develop the analytical and numerical tools for approximately realizing each iteration step within judiciously chosen accuracy tolerances, verified by a posteriori estimates, so as to still warrant quantifiable convergence to the exact eigenpair. This is carried out in full first for a Newton scheme. Since this is only locally convergent we analyze in addition the convergence of a power iteration in function space to produce sufficiently accurate initial guesses. Here we have to deal with intrinsic difficulties posed by compact but unsymmetric operators preventing standard arguments used in the finite dimensional case. Our main point is that we can avoid any condition on an initial guess to be already in a small neighborhood of the exact solution. We close with a discussion of remaining intrinsic obstructions to a certifiable numerical implementation, mainly related to not knowing the gap between the principal eigenvalue and the next smaller one in modulus.

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Variationally Correct Neural Residual Regression for Parametric PDEs: On the Viability of Controlled Accuracy

This paper is about learning the parameter-to-solution map for systems of partial differential equations (PDEs) that depend on a potentially large number of parameters covering all PDE types for which a stable variational formulation (SVF) can be found. A central constituent is the notion of variationally correct residual loss function meaning that its value is always uniformly proportional to the squared solution error in the norm determined by the SVF, hence facilitating rigorous a posteriori accuracy control. It is based on a single variational problem, associated with the family of parameter dependent fiber problems, employing the notion of direct integrals of Hilbert spaces. Since in its original form the loss function is given as a dual test norm of the residual a central objective is to develop equivalent computable expressions. A first critical role is played by hybrid hypothesis classes, whose elements are piecewise polynomial in (low-dimensional) spatio-temporal variables with parameter-dependent coefficients that can be represented, e.g. by neural networks. Second, working with first order SVFs, we distinguish two scenarios: (i) the test space can be chosen as an $L_2$-space (e.g. for elliptic or parabolic problems) so that residuals live in $L_2$ and can be evaluated directly; (ii) when trial and test spaces for the fiber problems (e.g. for transport equations) depend on the parameters, we use ultraweak formulations. In combination with Discontinuous Petrov Galerkin concepts the hybrid format is then instrumental to arrive at variationally correct computable residual loss functions. Our findings are illustrated by numerical experiments representing (i) and (ii), namely elliptic boundary value problems with piecewise constant diffusion coefficients and pure transport equations with parameter dependent convection field.

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Solving PDEs with Incomplete Information

We consider the problem of numerically approximating the solutions to a partial differential equation (PDE) when there is insufficient information to determine a unique solution. Our main example is the Poisson boundary value problem, when the boundary data is unknown and instead one observes finitely many linear measurements of the solution. We view this setting as an optimal recovery problem and develop theory and numerical algorithms for its solution. The main vehicle employed is the derivation and approximation of the Riesz representers of these functionals with respect to relevant Hilbert spaces of harmonic functions.

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Compositional Sparsity, Approximation Classes, and Parametric Transport Equations

Approximating functions of a large number of variables poses particular challenges often subsumed under the term ``Curse of Dimensionality'' (CoD). Unless the approximated function exhibits a very high level of smoothness the CoD can be avoided only by exploiting some typically hidden {\em structural sparsity}. In this paper we propose a general framework for new model classes of functions in high dimensions. They are based on suitable notions of {\em compositional dimension-sparsity} quantifying, on a continuous level, approximability by compositions with certain structural properties. In particular, this describes scenarios where deep neural networks can avoid the CoD. The relevance of these concepts is demonstrated for {\em solution manifolds} of parametric transport equations. For such PDEs parameter-to-solution maps do not enjoy the type of high order regularity that helps to avoid the CoD by more conventional methods in other model scenarios. Compositional sparsity is shown to serve as the key mechanism forn proving that sparsity of problem data is inherited in a quantifiable way by the solution manifold. In particular, one obtains convergence rates for deep neural network realizations showing that the CoD is indeed avoided.

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Least squares solvers for ill-posed PDEs that are conditionally stable

This paper is concerned with the design and analysis of least squares solvers for ill-posed PDEs that are conditionally stable. The norms and the regularization term used in the least squares functional are determined by the ingredients of the conditional stability assumption. We are then able to establish a general error bound that, in view of the conditional stability assumption, is qualitatively the best possible, without assuming consistent data. The price for these advantages is to handle dual norms which reduces to verifying suitable inf-sup stability. This, in turn, is done by constructing appropriate Fortin projectors for all sample scenarios. The theoretical findings are illustrated by numerical experiments.

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Reduced order modeling for elliptic problems with high contrast diffusion coefficients

We consider the parametric elliptic PDE $-{\rm div} (a(y)\nabla u)=f$ on a spatial domain $Ω$, with $a(y)$ a scalar piecewise constant diffusion coefficient taking any positive values $y=(y_1, \dots, y_d)\in ]0,\infty[^d$ on fixed subdomains $Ω_1,\dots,Ω_d$. This problem is not uniformly elliptic as the contrast $κ(y)=\frac{\max y_j}{\min y_j}$ can be arbitrarily high, contrarily to the Uniform Ellipticity Assumption (UEA) that is commonly made on parametric elliptic PDEs. Based on local polynomial approximations in the $y$ variable, we construct local and global reduced model spaces $V_n$ of moderate dimension $n$ that approximate uniformly well all solutions $u(y)$. Since the solution $u(y)$ blows as $y\to 0$, the solution manifold is not a compact set and does not have finite $n$-width. Therefore, our results for approximation by such spaces are formulated in terms of relative $H^1_0$-projection error, that is, after normalization by $\|u(y)\|_{H^1_0}$. We prove that this relative error decays exponentially with $n$, yet exhibiting the curse of dimensionality as the number $d$ of subdomains grows. We also show similar rates for the Galerkin projection despite the fact that high contrast is well-known to deteriorate the multiplicative constant when applying Cea's lemma. We finally establish uniform estimates in relative error for the state estimation and parameter estimation inverse problems, when $y$ is unknown and a limited number of linear measurements $\ell_i(u)$ are observed. A key ingredient in our construction and analysis is the study of the convergence of $u(y)$ to limit solutions when some of the parameters $y_j$ tend to infinity.

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Nonlinear Reduced DNN Models for State Estimation

We propose in this paper a data driven state estimation scheme for generating nonlinear reduced models for parametric families of PDEs, directly providing data-to-state maps, represented in terms of Deep Neural Networks. A major constituent is a sensor-induced decomposition of a model-compliant Hilbert space warranting approximation in problem relevant metrics. It plays a similar role as in a Parametric Background Data Weak framework for state estimators based on Reduced Basis concepts. Extensive numerical tests shed light on several optimization strategies that are to improve robustness and performance of such estimators.

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Accuracy controlled data assimilation for parabolic problems

This paper is concerned with the recovery of (approximate) solutions to parabolic problems from incomplete and possibly inconsistent observational data, given on a time-space cylinder that is a strict subset of the computational domain under consideration. Unlike previous approaches to this and related problems our starting point is a regularized least squares formulation in a continuous infinite-dimensional setting that is based on stable variational time-space formulations of the parabolic PDE. This allows us to derive a priori as well as a posteriori error bounds for the recovered states with respect to a certain reference solution. In these bounds the regularization parameter is disentangled from the underlying discretization. An important ingredient for the derivation of a posteriori bounds is the construction of suitable Fortin operators which allow us to control oscillation errors stemming from the discretization of dual norms. Moreover, the variational framework allows us to contrive preconditioners for the discrete problems whose application can be performed in linear time, and for which the condition numbers of the preconditioned systems are uniformly proportional to that of the regularized continuous problem. In particular, we provide suitable stopping criteria for the iterative solvers based on the a posteriori error bounds. The presented numerical experiments quantify the theoretical findings and demonstrate the performance of the numerical scheme in relation with the underlying discretization and regularization.

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Nonlinear reduced models for state and parameter estimation

State estimation aims at approximately reconstructing the solution $u$ to a parametrized partial differential equation from $m$ linear measurements, when the parameter vector $y$ is unknown. Fast numerical recovery methods have been proposed based on reduced models which are linear spaces of moderate dimension $n$ which are tailored to approximate the solution manifold $\mathcal{M}$ where the solution sits. These methods can be viewed as deterministic counterparts to Bayesian estimation approaches, and are proved to be optimal when the prior is expressed by approximability of the solution with respect to the reduced model. However, they are inherently limited by their linear nature, which bounds from below their best possible performance by the Kolmogorov width $d_m(\mathcal{M})$ of the solution manifold. In this paper we propose to break this barrier by using simple nonlinear reduced models that consist of a finite union of linear spaces $V_k$, each having dimension at most $m$ and leading to different estimators $u_k^*$. A model selection mechanism based on minimizing the PDE residual over the parameter space is used to select from this collection the final estimator $u^*$. Our analysis shows that $u^*$ meets optimal recovery benchmarks that are inherent to the solution manifold and not tied to its Kolmogorov width. The residual minimization procedure is computationally simple in the relevant case of affine parameter dependence in the PDE. In addition, it results in an estimator $y^*$ for the unknown parameter vector. In this setting, we also discuss an alternating minimization (coordinate descent) algorithm for joint state and parameter estimation, that potentially improves the quality of both estimators.

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Optimal reduced model algorithms for data-based state estimation

Reduced model spaces, such as reduced basis and polynomial chaos, are linear spaces $V_n$ of finite dimension $n$ which are designed for the efficient approximation of families parametrized PDEs in a Hilbert space $V$. The manifold $\mathcal{M}$ that gathers the solutions of the PDE for all admissible parameter values is globally approximated by the space $V_n$ with some controlled accuracy $ε_n$, which is typically much smaller than when using standard approximation spaces of the same dimension such as finite elements. Reduced model spaces have also been proposed in [13] as a vehicle to design a simple linear recovery algorithm of the state $u\in\mathcal{M}$ corresponding to a particular solution when the values of parameters are unknown but a set of data is given by $m$ linear measurements of the state. The measurements are of the form $\ell_j(u)$, $j=1,\dots,m$, where the $\ell_j$ are linear functionals on $V$. The analysis of this approach in [2] shows that the recovery error is bounded by $μ_nε_n$, where $μ_n=μ(V_n,W)$ is the inverse of an inf-sup constant that describe the angle between $V_n$ and the space $W$ spanned by the Riesz representers of $(\ell_1,\dots,\ell_m)$. A reduced model space which is efficient for approximation might thus be ineffective for recovery if $μ_n$ is large or infinite. In this paper, we discuss the existence and construction of an optimal reduced model space for this recovery method, and we extend our search to affine spaces. Our basic observation is that this problem is equivalent to the search of an optimal affine algorithm for the recovery of $\mathcal{M}$ in the worst case error sense. This allows us to perform our search by a convex optimization procedure. Numerical tests illustrate that the reduced model spaces constructed from our approach perform better than the classical reduced basis spaces.

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Reduced Basis Greedy Selection Using Random Training Sets

Reduced bases have been introduced for the approximation of parametrized PDEs in applications where many online queries are required. Their numerical efficiency for such problems has been theoretically confirmed in \cite{BCDDPW,DPW}, where it is shown that the reduced basis space $V_n$ of dimension $n$, constructed by a certain greedy strategy, has approximation error similar to that of the optimal space associated to the Kolmogorov $n$-width of the solution manifold. The greedy construction of the reduced basis space is performed in an offline stage which requires at each step a maximization of the current error over the parameter space. For the purpose of numerical computation, this maximization is performed over a finite {\em training set} obtained through a discretization. of the parameter domain. To guarantee a final approximation error $\varepsilon$ for the space generated by the greedy algorithm requires in principle that the snapshots associated to this training set constitute an approximation net for the solution manifold with accuracy or order $\varepsilon$. Hence, the size of the training set is the $\varepsilon$ covering number for $\mathcal{M}$ and this covering number typically behaves like $\exp(C\varepsilon^{-1/s})$ for some $C>0$ when the solution manifold has $n$-width decay $O(n^{-s})$. Thus, the shear size of the training set prohibits implementation of the algorithm when $\varepsilon$ is small. The main result of this paper shows that, if one is willing to accept results which hold with high probability, rather than with certainty, then for a large class of relevant problems one may replace the fine discretization by a random training set of size polynomial in $\varepsilon^{-1}$. Our proof of this fact is established by using inverse inequalities for polynomials in high dimensions.

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State Estimation -- The Role of Reduced Models

The exploration of complex physical or technological processes usually requires exploiting available information from different sources: (i) physical laws often represented as a family of parameter dependent partial differential equations and (ii) data provided by measurement devices or sensors. The amount of sensors is typically limited and data acquisition may be expensive and in some cases even harmful. This article reviews some recent developments for this "small-data" scenario where inversion is strongly aggravated by the typically large parametric dimensionality. The proposed concepts may be viewed as exploring alternatives to Bayesian inversion in favor of more deterministic accuracy quantification related to the required computational complexity. We discuss optimality criteria which delineate intrinsic information limits, and highlight the role of reduced models for developing efficient computational strategies. In particular, the need to adapt the reduced models -- not to a specific (possibly noisy) data set but rather to the sensor system -- is a central theme. This, in turn, is facilitated by exploiting geometric perspectives based on proper stable variational formulations of the continuous model.

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