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José A. Iglesias

Publications and source records attributed to José A. Iglesias.

At least 19 recordsLinked to original sources

Manifold limit for the training of shallow graph convolutional neural networks

We study the discrete-to-continuum consistency of the training of shallow graph convolutional neural networks (GCNNs) on proximity graphs of sampled point clouds under a manifold assumption. Graph convolution is defined spectrally via the graph Laplacian, whose low-frequency spectrum approximates that of the Laplace-Beltrami operator of the underlying smooth manifold, and shallow GCNNs of possibly infinite width are linear functionals on the space of measures on the parameter space. From this functional-analytic perspective, graph signals are seen as spatial discretizations of functions on the manifold, which leads to a natural notion of training data consistent across graph resolutions. To enable convergence results, the continuum parameter space is chosen as a weakly compact product of unit balls, with Sobolev regularity imposed on the output weight and bias, but not on the convolutional parameter. The corresponding discrete parameter spaces inherit the corresponding spectral decay, and are additionally restricted by a frequency cutoff adapted to the informative spectral window of the graph Laplacians. Under these assumptions, we prove $Γ$-convergence of regularized empirical risk minimization functionals and corresponding convergence of their global minimizers, in the sense of weak convergence of the parameter measures and uniform convergence of the functions over compact sets. This provides a formalization of mesh and sample independence, and hence of transferability across discretizations, for the training of such networks.

stat.ML↗

From plans to maps: Nonlocal regularization of optimal transport

We introduce a nonlocal regularization of optimal transport that bridges Kantorovich and Monge formulations. The regularization penalizes oscillations through an interaction kernel singular near the diagonal. We show that, for sufficiently strong singularities, every finite-energy transport plan is induced by a map, yielding equivalence between the regularized Kantorovich and Monge problems. For fractional kernels, the regularizer reduces to a fractional Sobolev seminorm that can allow jump discontinuities, leading to existence results for broad classes of source and target measures. We derive first-order optimality conditions and analyze the vanishing-regularization limit. The regularized functionals $Γ$-converge to the classical Kantorovich problem, while the first-order $Γ$-limit selects, whenever they exist, finite-energy Monge minimizers with minimal nonlocal energy. When no such minimizer exists, we identify a different asymptotic regime and establish a sharp scaling law in a prototypical mass-splitting example. Finally, after lifting the problem to the product of transport plans, we derive a dual formulation using the cone of copositive functions and propose a fixed-point numerical scheme illustrating the regularization.

math.OC↗

Linear convergence of a one-cut conditional gradient method for total variation regularization

We introduce a fully-corrective generalized conditional gradient method for convex minimization problems involving total variation regularization on multidimensional domains. It relies on alternatively updating an active set of subsets of the spatial domain and an iterate given by a conic combination of the associated characteristic functions. Different to previous approaches in the same spirit, the computation of a new candidate set only requires the solution of one prescribed mean curvature problem, instead of the resolution of a fractional minimization task analogous to finding a generalized Cheeger set. After discretization, the former can be realized by a single run of a graph cut algorithm, leading to a significant speedup in practice. We prove the global sublinear convergence of the resulting method, under mild assumptions, and its asymptotic linear convergence in a more restrictive two-dimensional setting which uses results of stability of surfaces of prescribed mean curvature under perturbations of the curvature. Finally, we numerically demonstrate this convergence behavior in some model PDE-constrained minimization problems.

math.OC↗

Vector-Valued Reproducing Kernel Banach Spaces for Neural Networks and Operators

Recently, there has been growing interest in characterizing the function spaces underlying neural networks. While shallow and deep scalar-valued neural networks have been linked to scalar-valued reproducing kernel Banach spaces (RKBS), $\mathbb{R}^d$-valued neural networks and neural operator models remain less understood in the RKBS setting. To address this gap, we develop a notion of adjoint pairs of vector-valued RKBSs (vv-RKBS), which inherently involves an associated reproducing kernel, and prove that every vv-RKBS belongs to such a pair. Our construction extends existing kernel definitions by avoiding restrictive assumptions such as symmetric kernel domains, finite-dimensional output spaces, reflexivity, or separability, while still recovering familiar properties of vector-valued reproducing kernel Hilbert spaces (vv-RKHS). We then show that shallow $\mathbb{R}^d$-valued neural networks are elements of a specific vv-RKBS, namely an instance of an integral vv-RKBS. To also explore the functional structure of neural operators, we analyze the DeepONet and Hypernetwork architectures and demonstrate that they too belong to an integral vv-RKBS. In all cases, we establish a representer theorem, showing that optimization over these function spaces recovers the corresponding neural architectures.

math.FA↗

Towards sparse optimization over convex loops: Equivalence of Square Root Velocity distance and Wasserstein-Fisher-Rao

The Wasserstein-Fisher-Rao (WFR) distance on $S^{2}$ has recently been shown to coincide with a classical elastic distance between $S^{2}$-immersions in the theory of Riemannian shape analysis. While this correspondence holds in dimension $2$, the analogous statement fails in general on $S^{1}$ and, in the case of convex curves, it cannot be derived from existing two-dimensional arguments. In this paper, we establish that for convex absolutely continuous immersions of $S^{1}$ in the plane, the shape distance induced by the square root velocity transformation (SRVT) is indeed equivalent to the WFR distance acting on their associated length measures. The proof exploits a monotonicity principle for optimal transport on the universal cover of the circle, which in turn guarantees the existence of an optimal reparametrization achieving the SRVT infimum and enables a one-dimensional unbalanced optimal transport reformulation. Motivated by this equivalence, we further investigate the role of sparsity in shape optimization problems formulated in terms of length measures and regularized by the WFR distance. We study linear optimization over the corresponding balls, for which we prove a finiteness result when the reference measure is discrete, and propose a convex, positively one-homogeneous regularizer suitable for conditional gradient algorithms.

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A Lipschitz spaces view of infinitely wide shallow neural networks

We revisit the mean field parametrization of shallow neural networks, using signed measures on unbounded parameter spaces and duality pairings that take into account the regularity and growth of activation functions. This setting directly leads to the use of unbalanced Kantorovich-Rubinstein norms defined by duality with Lipschitz functions, and of spaces of measures dual to those of continuous functions with controlled growth. These allow to make transparent the need for total variation and moment bounds or penalization to obtain existence of minimizers of variational formulations, under which we prove a compactness result in strong Kantorovich-Rubinstein norm, and in the absence of which we show several examples demonstrating undesirable behavior. Further, the Kantorovich-Rubinstein setting enables us to combine the advantages of a completely linear parametrization and ensuing reproducing kernel Banach space framework with optimal transport insights. We showcase this synergy with representer theorems and uniform large data limits for empirical risk minimization, and in proposed formulations for distillation and fusion applications.

math.FA↗

Nonlocal perimeters and variations: Extremality and decomposability for finite and infinite horizons

We analyze the extremality and decomposability properties with respect to two types of nonlocal perimeters available in the literature, the Gagliardo perimeter based on the eponymous seminorms and the nonlocal distributional Caccioppoli perimeter, both with finite and infinite interaction ranges. A nonlocal notion of indecomposability associated to these perimeters is introduced, and we prove that in both cases it can be characterized solely in terms of the interaction range or horizon $\varepsilon$. Utilizing this, we show that it is possible to uniquely decompose a set into its $\varepsilon$-connected components, establishing a nonlocal analogue of the decomposition theorem of Ambrosio, Caselles, Masnou and Morel. Moreover, the extreme points of the balls induced by the Gagliardo and nonlocal total variation seminorm are identified, which naturally correspond to the two nonlocal perimeters. Surprisingly, while the extreme points in the former case are normalized indicator functions of $\varepsilon$-simple sets, akin to the classical TV-ball, in the latter case they are instead obtained from a nonlocal transformation applied to the extreme points of the TV-ball. Finally, we explore the nonlocal-to-local transition via a $Γ$-limit as $\varepsilon \rightarrow 0$ for both perimeters, recovering the classical Caccioppoli perimeter.

math.FA↗

Monotonicity of the jump set and jump amplitudes in one-dimensional TV denoising

We revisit the classical problem of denoising a one-dimensional scalar-valued function by minimizing the sum of an $L^2$ fidelity term and the total variation, scaled by a regularization parameter. This study focuses on proving that the jump set of solutions, corresponding to discontinuities or edges, as well as the amplitude of the jumps are nonincreasing as the regularization parameter increases. Compared with previous works, our results apply to a strictly larger class of input functions, extending beyond the traditional setting of functions of bounded variation to any input in $L^\infty$ with left and right approximate limits everywhere. The proof leverages competitor constructions and convexity properties of the taut string problem, a well-known equivalent formulation of the TV model. This monotonicity property reflects that the extent to which geometric and topological features of the original signal are preserved is consistent with the amount of smoothing desired when formulating the denoising method.

math.OC↗

On extremal points for some vectorial total variation seminorms

We consider the set of extremal points of the generalized unit ball induced by gradient total variation seminorms for vector-valued functions on bounded Euclidean domains. These are central to the understanding of sparse solutions and sparse optimization algorithms for variational problems posed among such functions. For cases in which either the domain or the target are one dimensional or the sum of the total variations of each component is used, we prove that these extremals consist of piecewise constant functions with two regions. For definitions involving more involved matrix norms and in particular spectral norms, we produce families of examples to show that the resulting set of extremal points is larger and includes piecewise constant functions with more than two regions. We also consider the total deformation induced by the symmetrized gradient, for which minimization with linear constraints appears in problems of determination of limit loads in a number of continuum mechanical models involving plasticity. For this case, we show piecewise infinitesimally rigid functions with two pieces to be extremal under mild assumptions. Finally, as an example which is not piecewise constant, we prove that unit radial vector fields are extremal for the Frobenius total variation in the plane.

math.FA↗

Second-order flows for approaching stationary points of a class of non-convex energies via convex-splitting schemes

This paper contributes to the exploration of a recently introduced computational paradigm known as second-order flows, which are characterized by novel dissipative hyperbolic partial differential equations extending accelerated gradient flows to energy functionals defined on Sobolev spaces, and exhibiting significant performance particularly for the minimization of non-convex energies. Our approach hinges upon convex-splitting schemes, a tool which is not only pivotal for clarifying the well-posedness of second-order flows, but also yields a versatile array of robust numerical schemes through temporal (and spatial) discretization. We prove the convergence to stationary points of such schemes in the semi-discrete setting. Further, we establish their convergence to time-continuous solutions as the timestep tends to zero. Finally, these algorithms undergo thorough testing and validation in approaching stationary points of representative non-convex variational models in scientific computing.

math.NA↗

Conditional gradients for total variation regularization with PDE constraints: a graph cuts approach

Total variation regularization has proven to be a valuable tool in the context of optimal control of differential equations. This is particularly attributed to the observation that TV-penalties often favor piecewise constant minimizers with well-behaved jumpsets. On the downside, their intricate properties significantly complicate every aspect of their analysis, from the derivation of first-order optimality conditions to their discrete approximation and the choice of a suitable solution algorithm. In this paper, we investigate a general class of minimization problems with TV-regularization, comprising both continuous and discretized control spaces, from a convex geometry perspective. This leads to a variety of novel theoretical insights on minimization problems with total variation regularization as well as tools for their practical realization. First, by studying the extremal points of the respective total variation unit balls, we enable their efficient solution by geometry exploiting algorithms, e.g. fully-corrective generalized conditional gradient methods. We give a detailed account on the practical realization of such a method for piecewise constant finite element approximations of the control on triangulations of the spatial domain. Second, in the same setting and for suitable sequences of uniformly refined meshes, it is shown that minimizers to discretized PDE-constrained optimal control problems approximate solutions to a continuous limit problem involving an anisotropic total variation reflecting the fine-scale geometry of the mesh.

math.OC↗

Dyadic partition-based training schemes for TV/TGV denoising

Due to their ability to handle discontinuous images while having a well-understood behavior, regularizations with total variation (TV) and total generalized variation (TGV) are some of the best-known methods in image denoising. However, like other variational models including a fidelity term, they crucially depend on the choice of their tuning parameters. A remedy is to choose these automatically through multilevel approaches, for example by optimizing performance on noisy/clean image pairs. In this work, we consider such methods with space-dependent parameters which are piecewise constant on dyadic grids, with the grid itself being part of the minimization. We prove existence of minimizers for fixed discontinuous parameters under mild assumptions on the data, which lead to existence of finite optimal partitions. We further establish that these assumptions are equivalent to the commonly used box constraints on the parameters. On the numerical side, we consider a simple subdivision scheme for optimal partitions built on top of any other bilevel optimization method for scalar parameters, and demonstrate its improved performance on some representative test images when compared with constant optimized parameters.

math.AP↗

Boundedness and unboundedness in total variation regularization

We consider whether minimizers for total variation regularization of linear inverse problems belong to $L^\infty$ even if the measured data does not. We present a simple proof of boundedness of the minimizer for fixed regularization parameter, and derive the existence of uniform bounds for sufficiently small noise under a source condition and adequate a priori parameter choices. To show that such a result cannot be expected for every fidelity term and dimension we compute an explicit radial unbounded minimizer, which is accomplished by proving the equivalence of weighted one-dimensional denoising with a generalized taut string problem. Finally, we discuss the possibility of extending such results to related higher-order regularization functionals, obtaining a positive answer for the infimal convolution of first and second order total variation.

math.OC↗

Convergence of level sets in fractional Laplacian regularization

The use of the fractional Laplacian in image denoising and regularization of inverse problems has enjoyed a recent surge in popularity, since for discontinuous functions it can behave less aggressively than methods based on $H^1$ norms, while being linear and computable with fast spectral numerical methods. In this work, we examine denoising and linear inverse problems regularized with fractional Laplacian in the vanishing noise and regularization parameter regime. The clean data is assumed piecewise constant in the first case, and continuous and satisfying a source condition in the second. In these settings, we prove results of convergence of level set boundaries with respect to Hausdorff distance, and additionally convergence rates in the case of denoising and indicatrix clean data. The main technical tool for this purpose is a family of barriers constructed by Savin and Valdinoci for studying the fractional Allen-Cahn equation. To help put these fractional methods in context, comparisons with the total variation and classical Laplacian are provided throughout.

math.AP↗

Extremal points and sparse optimization for generalized Kantorovich-Rubinstein norms

A precise characterization of the extremal points of sublevel sets of nonsmooth penalties provides both detailed information about minimizers, and optimality conditions in general classes of minimization problems involving them. Moreover, it enables the application of accelerated generalized conditional gradient methods for their efficient solution. In this manuscript, this program is adapted to the minimization of a smooth convex fidelity term which is augmented with an unbalanced transport regularization term given in the form of a generalized Kantorovich-Rubinstein norm for Radon measures. More precisely, we show that the extremal points associated to the latter are given by all Dirac delta functionals supported in the spatial domain as well as certain dipoles, i.e., pairs of Diracs with the same mass but with different signs. Subsequently, this characterization is used to derive precise first-order optimality conditions as well as an efficient solution algorithm for which linear convergence is proved under natural assumptions. This behaviour is also reflected in numerical examples for a model problem.

math.OC↗

Extremal points of total generalized variation balls in 1D: characterization and applications

The total generalized variation (TGV) is a popular regularizer in inverse problems and imaging combining discontinuous solutions and higher order smoothing. In particular, empirical observations suggest that its order two version strongly favors piecewise affine functions. In the present manuscript, we formalize this statement for the one-dimensional TGV-functional by characterizing the extremal points of its sublevel sets with respect to a suitable quotient space topology. These results imply that 1D TGV-regularized linear inverse problems with finite dimensional observations admit piecewise affine minimizers. As further applications of this characterization we include precise first-order necessary optimality conditions without requiring convexity of the fidelity term, and a simple solution algorithm for TGV-regularized minimization problems.

math.OC↗

Weak formulations of the nonlinear Poisson-Boltzmann equation in biomolecular electrostatics

We consider the nonlinear Poisson-Boltzmann equation in the context of electrostatic models for a biological macromolecule, embedded in a bounded domain containing a solution of an arbitrary number of ionic species which is not necessarily charge neutral. The resulting semilinear elliptic equation combines several difficulties: exponential growth and lack of sign preservation in the nonlinearity accounting for ion mobility, measure data arising from point charges inside the molecule, and discontinuous permittivities across the molecule boundary. Exploiting the modelling assumption that the point sources and the nonlinearity are active on disjoint parts of the domain, one can use a linear decomposition of the potential into regular and singular components. A variational argument can be used for the regular part, but the unbounded nonlinearity makes the corresponding functional not differentiable in Sobolev spaces. By proving boundedness of minimizers, these are related to standard $H^1$ weak formulations for the regular component and in the framework of Boccardo and Gallouët for the full potential. Finally, a result of uniqueness of this type of weak solutions for more general semilinear problems with measure data validates the strategy, since the different decompositions and test spaces considered must then lead to the same solution.

math.AP↗

Symmetry and scaling limits for matching of implicit surfaces based on thin shell energies

In a recent paper by Iglesias, Rumpf and Scherzer (Found. Comput. Math. 18(4), 2018) a variational model for deformations matching a pair of shapes given as level set functions was proposed. Its main feature is the presence of anisotropic energies active only in a narrow band around the hypersurfaces that resemble the behavior of elastic shells. In this work we consider some extensions and further analysis of that model. First, we present a symmetric energy functional such that given two particular shapes, it assigns the same energy to any given deformation as to its inverse when the roles of the shapes are interchanged, and introduce the adequate parameter scaling to recover a surface problem when the width of the narrow band vanishes. Then, we obtain existence of minimizing deformations for the symmetric energy in classes of bi-Sobolev homeomorphisms for small enough widths, and prove a $Γ$-convergence result for the corresponding non-symmetric energies as the width tends to zero. Finally, numerical results on realistic shape matching applications demonstrating the effect of the symmetric energy are presented.

math.OC↗