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Houman Owhadi

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preprint2026arXiv

Dictionary learning for Kernel EDMD

Studying nonlinear dynamical systems through their state space behavior can be challenging, and one possible alternative is to analyze them via their associated Koopman operator. This turns the nonlinear problem into a linear, infinite-dimensional one. To approximate the operator in finite dimensions, extended dynamic mode decomposition (EDMD) is a commonly used algorithm. It requires a finite list of functionals and a set of snapshots from the system to compute an approximation of the operator and its corresponding spectrum. Instead of choosing the list of functionals directly, it can be implicitly defined via kernels, a method known as kernel extended dynamic mode decomposition (kEDMD). However, one still needs to define the kernel and choose its parameter values. In this paper, we aim to streamline this process by extending dictionary learning for EDMD to kernel learning in kEDMD. By simplifying kEDMD we show how to perform gradient-based optimization over the learnable kernel parameters, and demonstrate that this method leads to useful kernels for the original kEDMD. The focus of our work is a method that takes a weighted list of kernels with randomly initialized values as input and outputs a list of kernels and parameter values suitable for approximating the Koopman operator of the underlying system. We demonstrate that unimportant kernels can be removed from the list by analyzing the weights in the weighted sum. We evaluate the method across several experiments, including the Duffing oscillator and the Kuramoto-Sivashinsky PDE, showcasing the method's different strengths.

preprint2026arXiv

ISOMORPH: A Supply Chain Digital Twin for Simulation, Dataset Generation, and Forecasting Benchmarks

Open time-series forecasting (TSF) benchmarks cover retail, energy, weather, and traffic, but supply-chain logistics remains underserved. We introduce ISOMORPH, the first public digital twin of a multi-echelon logistics network with fully interpretable, user-configurable parameters and modular topology, demand process, and control rules. The simulator advances a directed routing graph in discrete time: demand arrives at the destination, is served from stock or recorded as backlog, and triggers replenishment through the network. The state vector tracks per-node on-hand inventory with outstanding orders, in-transit shipments, and a smoothed demand estimate, so the dynamics close as a Markov chain on a tractable state space whose transition kernel acts linearly on the empirical distribution of the state. The released data reproduces the bullwhip effect at empirically consistent magnitudes, and three conservation laws encoded in the Markov chain serve as verification tools when users extend the simulator. We release datasets at two catalogue scales ($C=50$ and $C=200$) with six scenario sweeps producing 30 additional rollouts and 20 Latin-hypercube perturbations, exhibiting dynamics absent from fixed TSF benchmarks: variance amplification, cascading bottlenecks, regime shifts, and cross-channel coupling through shared macro shocks. Zero-shot evaluation of four foundation models (Chronos, Moirai, TimesFM, Lag-Llama) shows MASE values exceeding public GIFT-Eval references at low-to-moderate horizons, supporting incorporation into existing benchmarks. The same pairing produces forecast confidence bands via Latin-hypercube perturbation of demand-side knobs, forward UQ from parameter uncertainty unavailable on standard TSF datasets, demonstrating that foundation models can serve as fast surrogates for the digital twin's forward UQ. Code (MIT): https://github.com/tuhinsahai/ISOMORPH.

preprint2022arXiv

Computational Graph Completion

We introduce a framework for generating, organizing, and reasoning with computational knowledge. It is motivated by the observation that most problems in Computational Sciences and Engineering (CSE) can be formulated as that of completing (from data) a computational graph (or hypergraph) representing dependencies between functions and variables. Nodes represent variables, and edges represent functions. Functions and variables may be known, unknown, or random. Data comes in the form of observations of distinct values of a finite number of subsets of the variables of the graph (satisfying its functional dependencies). The underlying problem combines a regression problem (approximating unknown functions) with a matrix completion problem (recovering unobserved variables in the data). Replacing unknown functions by Gaussian Processes (GPs) and conditioning on observed data provides a simple but efficient approach to completing such graphs. Since this completion process can be reduced to an algorithm, as one solves $\sqrt{2}$ on a pocket calculator without thinking about it, one could, with the automation of the proposed framework, solve a complex CSE problem by drawing a diagram. Compared to traditional kriging, the proposed framework can be used to recover unknown functions with much scarcer data by exploiting interdependencies between multiple functions and variables. The underlying problem could therefore also be interpreted as a generalization of that of solving linear systems of equations to that of approximating unknown variables and functions with noisy, incomplete, and nonlinear dependencies. Numerous examples illustrate the flexibility, scope, efficacy, and robustness of the proposed framework and show how it can be used as a pathway to identifying simple solutions to classical CSE problems (digital twin modeling, dimension reduction, mode decomposition, etc.).

preprint2022arXiv

Uncertainty Quantification of the 4th kind; optimal posterior accuracy-uncertainty tradeoff with the minimum enclosing ball

There are essentially three kinds of approaches to Uncertainty Quantification (UQ): (A) robust optimization, (B) Bayesian, (C) decision theory. Although (A) is robust, it is unfavorable with respect to accuracy and data assimilation. (B) requires a prior, it is generally brittle and posterior estimations can be slow. Although (C) leads to the identification of an optimal prior, its approximation suffers from the curse of dimensionality and the notion of risk is one that is averaged with respect to the distribution of the data. We introduce a 4th kind which is a hybrid between (A), (B), (C), and hypothesis testing. It can be summarized as, after observing a sample $x$, (1) defining a likelihood region through the relative likelihood and (2) playing a minmax game in that region to define optimal estimators and their risk. The resulting method has several desirable properties (a) an optimal prior is identified after measuring the data, and the notion of risk is a posterior one, (b) the determination of the optimal estimate and its risk can be reduced to computing the minimum enclosing ball of the image of the likelihood region under the quantity of interest map (which is fast and not subject to the curse of dimensionality). The method is characterized by a parameter in $ [0,1]$ acting as an assumed lower bound on the rarity of the observed data (the relative likelihood). When that parameter is near $1$, the method produces a posterior distribution concentrated around a maximum likelihood estimate with tight but low confidence UQ estimates. When that parameter is near $0$, the method produces a maximal risk posterior distribution with high confidence UQ estimates. In addition to navigating the accuracy-uncertainty tradeoff, the proposed method addresses the brittleness of Bayesian inference by navigating the robustness-accuracy tradeoff associated with data assimilation.

preprint2020arXiv

Competitive Mirror Descent

Constrained competitive optimization involves multiple agents trying to minimize conflicting objectives, subject to constraints. This is a highly expressive modeling language that subsumes most of modern machine learning. In this work we propose competitive mirror descent (CMD): a general method for solving such problems based on first order information that can be obtained by automatic differentiation. First, by adding Lagrange multipliers, we obtain a simplified constraint set with an associated Bregman potential. At each iteration, we then solve for the Nash equilibrium of a regularized bilinear approximation of the full problem to obtain a direction of movement of the agents. Finally, we obtain the next iterate by following this direction according to the dual geometry induced by the Bregman potential. By using the dual geometry we obtain feasible iterates despite only solving a linear system at each iteration, eliminating the need for projection steps while still accounting for the global nonlinear structure of the constraint set. As a special case we obtain a novel competitive multiplicative weights algorithm for problems on the positive cone.

preprint2020arXiv

Kernel Mode Decomposition and programmable/interpretable regression networks

Mode decomposition is a prototypical pattern recognition problem that can be addressed from the (a priori distinct) perspectives of numerical approximation, statistical inference and deep learning. Could its analysis through these combined perspectives be used as a Rosetta stone for deciphering mechanisms at play in deep learning? Motivated by this question we introduce programmable and interpretable regression networks for pattern recognition and address mode decomposition as a prototypical problem. The programming of these networks is achieved by assembling elementary modules decomposing and recomposing kernels and data. These elementary steps are repeated across levels of abstraction and interpreted from the equivalent perspectives of optimal recovery, game theory and Gaussian process regression (GPR). The prototypical mode/kernel decomposition module produces an optimal approximation $(w_1,w_2,\cdots,w_m)$ of an element $(v_1,v_2,\ldots,v_m)$ of a product of Hilbert subspaces of a common Hilbert space from the observation of the sum $v:=v_1+\cdots+v_m$. The prototypical mode/kernel recomposition module performs partial sums of the recovered modes $w_i$ based on the alignment between each recovered mode $w_i$ and the data $v$. We illustrate the proposed framework by programming regression networks approximating the modes $v_i= a_i(t)y_i\big(θ_i(t)\big)$ of a (possibly noisy) signal $\sum_i v_i$ when the amplitudes $a_i$, instantaneous phases $θ_i$ and periodic waveforms $y_i$ may all be unknown and show near machine precision recovery under regularity and separation assumptions on the instantaneous amplitudes $a_i$ and frequencies $\dotθ_i$. The structure of some of these networks share intriguing similarities with convolutional neural networks while being interpretable, programmable and amenable to theoretical analysis.

preprint2016arXiv

Extreme points of a ball about a measure with finite support

We show that, for the space of Borel probability measures on a Borel subset of a Polish metric space, the extreme points of the Prokhorov, Monge-Wasserstein and Kantorovich metric balls about a measure whose support has at most n points, consist of measures whose supports have at most n+2 points. Moreover, we use the Strassen and Kantorovich-Rubinstein duality theorems to develop representations of supersets of the extreme points based on linear programming, and then develop these representations towards the goal of their efficient computation.

preprint2016arXiv

Qualitative Robustness in Bayesian Inference

The practical implementation of Bayesian inference requires numerical approximation when closed-form expressions are not available. What types of accuracy (convergence) of the numerical approximations guarantee robustness and what types do not? In particular, is the recursive application of Bayes' rule robust when subsequent data or posteriors are approximated? When the prior is the push forward of a distribution by the map induced by the solution of a PDE, in which norm should that solution be approximated? Motivated by such questions, we investigate the sensitivity of the distribution of posterior distributions (i.e. posterior distribution-valued random variables, randomized through the data) with respect to perturbations of the prior and data generating distributions in the limit when the number of data points grows towards infinity.

preprint2016arXiv

Separability of reproducing kernel spaces

We demonstrate that a reproducing kernel Hilbert or Banach space of functions on a separable absolute Borel space or an analytic subset of a Polish space is separable if it possesses a Borel measurable feature map.

preprint2015arXiv

Bayesian Numerical Homogenization

Numerical homogenization, i.e. the finite-dimensional approximation of solution spaces of PDEs with arbitrary rough coefficients, requires the identification of accurate basis elements. These basis elements are oftentimes found after a laborious process of scientific investigation and plain guesswork. Can this identification problem be facilitated? Is there a general recipe/decision framework for guiding the design of basis elements? We suggest that the answer to the above questions could be positive based on the reformulation of numerical homogenization as a Bayesian Inference problem in which a given PDE with rough coefficients (or multi-scale operator) is excited with noise (random right hand side/source term) and one tries to estimate the value of the solution at a given point based on a finite number of observations. We apply this reformulation to the identification of bases for the numerical homogenization of arbitrary integro-differential equations and show that these bases have optimal recovery properties. In particular we show how Rough Polyharmonic Splines can be re-discovered as the optimal solution of a Gaussian filtering problem.

preprint2015arXiv

Brittleness of Bayesian Inference Under Finite Information in a Continuous World

We derive, in the classical framework of Bayesian sensitivity analysis, optimal lower and upper bounds on posterior values obtained from Bayesian models that exactly capture an arbitrarily large number of finite-dimensional marginals of the data-generating distribution and/or that are as close as desired to the data-generating distribution in the Prokhorov or total variation metrics; these bounds show that such models may still make the largest possible prediction error after conditioning on an arbitrarily large number of sample data measured at finite precision. These results are obtained through the development of a reduction calculus for optimization problems over measures on spaces of measures. We use this calculus to investigate the mechanisms that generate brittleness/robustness and, in particular, we observe that learning and robustness are antagonistic properties. It is now well understood that the numerical resolution of PDEs requires the satisfaction of specific stability conditions. Is there a missing stability condition for using Bayesian inference in a continuous world under finite information?

preprint2015arXiv

Conditioning Gaussian measure on Hilbert space

For a Gaussian measure on a separable Hilbert space with covariance operator $C$, we show that the family of conditional measures associated with conditioning on a closed subspace $S^{\perp}$ are Gaussian with covariance operator the short $\mathcal{S}(C)$ of the operator $C$ to $S$. We provide two proofs. The first uses the theory of Gaussian Hilbert spaces and a characterization of the shorted operator by Andersen and Trapp. The second uses recent developments by Corach, Maestripieri and Stojanoff on the relationship between the shorted operator and $C$-symmetric oblique projections onto $S^{\perp}$. To obtain the assertion when such projections do not exist, we develop an approximation result for the shorted operator by showing, for any positive operator $A$, how to construct a sequence of approximating operators $A^{n}$ which possess $A^{n}$-symmetric oblique projections onto $S^{\perp}$ such that the sequence of shorted operators $\mathcal{S}(A^{n})$ converges to $\mathcal{S}(A)$ in the weak operator topology. This result combined with the martingale convergence of random variables associated with the corresponding approximations $C^{n}$ establishes the main assertion in general. Moreover, it in turn strengthens the approximation theorem for shorted operator when the operator is trace class; then the sequence of shorted operators $\mathcal{S}(A^{n})$ converges to $\mathcal{S}(A)$ in trace norm.

preprint2015arXiv

Convex Optimal Uncertainty Quantification

Optimal uncertainty quantification (OUQ) is a framework for numerical extreme-case analysis of stochastic systems with imperfect knowledge of the underlying probability distribution. This paper presents sufficient conditions under which an OUQ problem can be reformulated as a finite-dimensional convex optimization problem, for which efficient numerical solutions can be obtained. The sufficient conditions include that the objective function is piecewise concave and the constraints are piecewise convex. In particular, we show that piecewise concave objective functions may appear in applications where the objective is defined by the optimal value of a parameterized linear program.

preprint2015arXiv

On the Brittleness of Bayesian Inference

With the advent of high-performance computing, Bayesian methods are increasingly popular tools for the quantification of uncertainty throughout science and industry. Since these methods impact the making of sometimes critical decisions in increasingly complicated contexts, the sensitivity of their posterior conclusions with respect to the underlying models and prior beliefs is a pressing question for which there currently exist positive and negative results. We report new results suggesting that, although Bayesian methods are robust when the number of possible outcomes is finite or when only a finite number of marginals of the data-generating distribution are unknown, they could be generically brittle when applied to continuous systems (and their discretizations) with finite information on the data-generating distribution. If closeness is defined in terms of the total variation metric or the matching of a finite system of generalized moments, then (1) two practitioners who use arbitrarily close models and observe the same (possibly arbitrarily large amount of) data may reach opposite conclusions; and (2) any given prior and model can be slightly perturbed to achieve any desired posterior conclusions. The mechanism causing brittlenss/robustness suggests that learning and robustness are antagonistic requirements and raises the question of a missing stability condition for using Bayesian Inference in a continuous world under finite information.

preprint2015arXiv

Temporal homogenization of linear ODEs, with applications to parametric super-resonance and energy harvest

We consider the temporal homogenization of linear ODEs of the form $\dot{x}=Ax+εP(t)x+f(t)$, where $P(t)$ is periodic and $ε$ is small. Using a 2-scale expansion approach, we obtain the long-time approximation $x(t)\approx \exp(At) \left( Ω(t)+\int_0^t \exp(-A τ) f(τ) \, dτ\right)$, where $Ω$ solves the cell problem $\dotΩ=εB Ω+ εF(t)$ with an effective matrix $B$ and an explicitly-known $F(t)$. We provide necessary and sufficient condition for the accuracy of the approximation (over a $\mathcal{O}(ε^{-1})$ time-scale), and show how $B$ can be computed (at a cost independent of $ε$). As a direct application, we investigate the possibility of using RLC circuits to harvest the energy contained in small scale oscillations of ambient electromagnetic fields (such as Schumann resonances). Although a RLC circuit parametrically coupled to the field may achieve such energy extraction via parametric resonance, its resistance $R$ needs to be smaller than a threshold $κ$ proportional to the fluctuations of the field, thereby limiting practical applications. We show that if $n$ RLC circuits are appropriately coupled via mutual capacitances or inductances, then energy extraction can be achieved when the resistance of each circuit is smaller than $nκ$. Hence, if the resistance of each circuit has a non-zero fixed value, energy extraction can be made possible through the coupling of a sufficiently large number $n$ of circuits ($n\approx 1000$ for the first mode of Schumann resonances and contemporary values of capacitances, inductances and resistances). The theory is also applied to the control of the oscillation amplitude of a (damped) oscillator.

preprint2014arXiv

Brittleness of Bayesian inference and new Selberg formulas

The incorporation of priors in the Optimal Uncertainty Quantification (OUQ) framework \cite{OSSMO:2011} reveals brittleness in Bayesian inference; a model may share an arbitrarily large number of finite-dimensional marginals with, or be arbitrarily close (in Prokhorov or total variation metrics) to, the data-generating distribution and still make the largest possible prediction error after conditioning on an arbitrarily large number of samples. The initial purpose of this paper is to unwrap this brittleness mechanism by providing (i) a quantitative version of the Brittleness Theorem of \cite{BayesOUQ} and (ii) a detailed and comprehensive analysis of its application to the revealing example of estimating the mean of a random variable on the unit interval $[0,1]$ using priors that exactly capture the distribution of an arbitrarily large number of Hausdorff moments. However, in doing so, we discovered that the free parameter associated with Markov and Kre\uın's canonical representations of truncated Hausdorff moments generates reproducing kernel identities corresponding to reproducing kernel Hilbert spaces of polynomials. Furthermore, these reproducing identities lead to biorthogonal systems of Selberg integral formulas. This process of discovery appears to be generic: whereas Karlin and Shapley used Selberg's integral formula to first compute the volume of the Hausdorff moment space (the polytope defined by the first $n$ moments of a probability measure on the interval $[0,1]$), we observe that the computation of that volume along with higher order moments of the uniform measure on the moment space, using different finite-dimensional representations of subsets of the infinite-dimensional set of probability measures on $[0,1]$ representing the first $n$ moments, leads to families of equalities corresponding to classical and new Selberg identities.

preprint2014arXiv

Variational and linearly-implicit integrators, with applications

We show that symplectic and linearly-implicit integrators proposed by [Zhang and Skeel, 1997] are variational linearizations of Newmark methods. When used in conjunction with penalty methods (i.e., methods that replace constraints by stiff potentials), these integrators permit coarse time-stepping of holonomically constrained mechanical systems and bypass the resolution of nonlinear systems. Although penalty methods are widely employed, an explicit link to Lagrange multiplier approaches appears to be lacking; such a link is now provided (in the context of two-scale flow convergence [Tao, Owhadi and Marsden, 2010]). The variational formulation also allows efficient simulations of mechanical systems on Lie groups.

preprint2012arXiv

Control of a Model of DNA Division via Parametric Resonance

We study the internal resonance, energy transfer, activation mechanism, and control of a model of DNA division via parametric resonance. While the system is robust to noise, this study shows that it is sensitive to specific fine scale modes and frequencies that could be targeted by low intensity electro-magnetic fields for triggering and controlling the division. The DNA model is a chain of pendula in a Morse potential. While the (possibly parametrically excited) system has a large number of degrees of freedom and a large number of intrinsic time scales, global and slow variables can be identified by (i) first reducing its dynamic to two modes exchanging energy between each other and (ii) averaging the dynamic of the reduced system with respect to the phase of the fastest mode. Surprisingly the global and slow dynamic of the system remains Hamiltonian (despite the parametric excitation) and the study of its associated effective potential shows how parametric excitation can turn the unstable open state into a stable one. Numerical experiments support the accuracy of the time-averaged reduced Hamiltonian in capturing the global and slow dynamic of the full system.

preprint2012arXiv

Optimal Uncertainty Quantification

We propose a rigorous framework for Uncertainty Quantification (UQ) in which the UQ objectives and the assumptions/information set are brought to the forefront. This framework, which we call \emph{Optimal Uncertainty Quantification} (OUQ), is based on the observation that, given a set of assumptions and information about the problem, there exist optimal bounds on uncertainties: these are obtained as values of well-defined optimization problems corresponding to extremizing probabilities of failure, or of deviations, subject to the constraints imposed by the scenarios compatible with the assumptions and information. In particular, this framework does not implicitly impose inappropriate assumptions, nor does it repudiate relevant information. Although OUQ optimization problems are extremely large, we show that under general conditions they have finite-dimensional reductions. As an application, we develop \emph{Optimal Concentration Inequalities} (OCI) of Hoeffding and McDiarmid type. Surprisingly, these results show that uncertainties in input parameters, which propagate to output uncertainties in the classical sensitivity analysis paradigm, may fail to do so if the transfer functions (or probability distributions) are imperfectly known. We show how, for hierarchical structures, this phenomenon may lead to the non-propagation of uncertainties or information across scales. In addition, a general algorithmic framework is developed for OUQ and is tested on the Caltech surrogate model for hypervelocity impact and on the seismic safety assessment of truss structures, suggesting the feasibility of the framework for important complex systems. The introduction of this paper provides both an overview of the paper and a self-contained mini-tutorial about basic concepts and issues of UQ.

preprint2011arXiv

From efficient symplectic exponentiation of matrices to symplectic integration of high-dimensional Hamiltonian systems with slowly varying quadratic stiff potentials

We present a multiscale integrator for Hamiltonian systems with slowly varying quadratic stiff potentials that uses coarse timesteps (analogous to what the impulse method uses for constant quadratic stiff potentials). This method is based on the highly-non-trivial introduction of two efficient symplectic schemes for exponentiations of matrices that only require O(n) matrix multiplications operations at each coarse time step for a preset small number n. The proposed integrator is shown to be (i) uniformly convergent on positions; (ii) symplectic in both slow and fast variables; (iii) well adapted to high dimensional systems. Our framework also provides a general method for iteratively exponentiating a slowly varying sequence of (possibly high dimensional) matrices in an efficient way.

preprint2011arXiv

Localized bases for finite dimensional homogenization approximations with non-separated scales and high-contrast

We construct finite-dimensional approximations of solution spaces of divergence form operators with $L^\infty$-coefficients. Our method does not rely on concepts of ergodicity or scale-separation, but on the property that the solution space of these operators is compactly embedded in $H^1$ if source terms are in the unit ball of $L^2$ instead of the unit ball of $H^{-1}$. Approximation spaces are generated by solving elliptic PDEs on localized sub-domains with source terms corresponding to approximation bases for $H^2$. The $H^1$-error estimates show that $\mathcal{O}(h^{-d})$-dimensional spaces with basis elements localized to sub-domains of diameter $\mathcal{O}(h^α\ln \frac{1}{h})$ (with $α\in [1/2,1)$) result in an $\mathcal{O}(h^{2-2α})$ accuracy for elliptic, parabolic and hyperbolic problems. For high-contrast media, the accuracy of the method is preserved provided that localized sub-domains contain buffer zones of width $\mathcal{O}(h^α\ln \frac{1}{h})$ where the contrast of the medium remains bounded. The proposed method can naturally be generalized to vectorial equations (such as elasto-dynamics).

preprint2011arXiv

Space-time FLAVORS: finite difference, multisymlectic, and pseudospectral integrators for multiscale PDEs

We present a new class of integrators for stiff PDEs. These integrators are generalizations of FLow AVeraging integratORS (FLAVORS) for stiff ODEs and SDEs introduced in [Tao, Owhadi and Marsden 2010] with the following properties: (i) Multiscale: they are based on flow averaging and have a computational cost determined by mesoscopic steps in space and time instead of microscopic steps in space and time; (ii) Versatile: the method is based on averaging the flows of the given PDEs (which may have hidden slow and fast processes). This bypasses the need for identifying explicitly (or numerically) the slow variables or reduced effective PDEs; (iii) Nonintrusive: A pre-existing numerical scheme resolving the microscopic time scale can be used as a black box and easily turned into one of the integrators in this paper by turning the large coefficients on over a microscopic timescale and off during a mesoscopic timescale; (iv) Convergent over two scales: strongly over slow processes and in the sense of measures over fast ones; (v) Structure-preserving: for stiff Hamiltonian PDEs (possibly on manifolds), they can be made to be multi-symplectic, symmetry-preserving (symmetries are group actions that leave the system invariant) in all variables and variational.

preprint2011arXiv

Variational integrators for electric circuits

In this contribution, we develop a variational integrator for the simulation of (stochastic and multiscale) electric circuits. When considering the dynamics of an electrical circuit, one is faced with three special situations: 1. The system involves external (control) forcing through external (controlled) voltage sources and resistors. 2. The system is constrained via the Kirchhoff current (KCL) and voltage laws (KVL). 3. The Lagrangian is degenerate. Based on a geometric setting, an appropriate variational formulation is presented to model the circuit from which the equations of motion are derived. A time-discrete variational formulation provides an iteration scheme for the simulation of the electric circuit. Dependent on the discretization, the intrinsic degeneracy of the system can be canceled for the discrete variational scheme. In this way, a variational integrator is constructed that gains several advantages compared to standard integration tools for circuits; in particular, a comparison to BDF methods (which are usually the method of choice for the simulation of electric circuits) shows that even for simple LCR circuits, a better energy behavior and frequency spectrum preservation can be observed using the developed variational integrator.

preprint2010arXiv

A non-adapted sparse approximation of PDEs with stochastic inputs

We propose a method for the approximation of solutions of PDEs with stochastic coefficients based on the direct, i.e., non-adapted, sampling of solutions. This sampling can be done by using any legacy code for the deterministic problem as a black box. The method converges in probability (with probabilistic error bounds) as a consequence of sparsity and a concentration of measure phenomenon on the empirical correlation between samples. We show that the method is well suited for truly high-dimensional problems (with slow decay in the spectrum).

preprint2010arXiv

Equivalence of concentration inequalities for linear and non-linear functions

We consider a random variable $X$ that takes values in a (possibly infinite-dimensional) topological vector space $\mathcal{X}$. We show that, with respect to an appropriate "normal distance" on $\mathcal{X}$, concentration inequalities for linear and non-linear functions of $X$ are equivalent. This normal distance corresponds naturally to the concentration rate in classical concentration results such as Gaussian concentration and concentration on the Euclidean and Hamming cubes. Under suitable assumptions on the roundness of the sets of interest, the concentration inequalities so obtained are asymptotically optimal in the high-dimensional limit.

preprint2010arXiv

Flux norm approach to finite dimensional homogenization approximations with non-separated scales and high contrast

We consider divergence-form scalar elliptic equations and vectorial equations for elasticity with rough ($L^\infty(Ω)$, $Ω\subset \R^d$) coefficients $a(x)$ that, in particular, model media with non-separated scales and high contrast in material properties. We define the flux norm as the $L^2$ norm of the potential part of the fluxes of solutions, which is equivalent to the usual $H^1$-norm. We show that in the flux norm, the error associated with approximating, in a properly defined finite-dimensional space, the set of solutions of the aforementioned PDEs with rough coefficients is equal to the error associated with approximating the set of solutions of the same type of PDEs with smooth coefficients in a standard space (e.g., piecewise polynomial). We refer to this property as the {\it transfer property}. A simple application of this property is the construction of finite dimensional approximation spaces with errors independent of the regularity and contrast of the coefficients and with optimal and explicit convergence rates. This transfer property also provides an alternative to the global harmonic change of coordinates for the homogenization of elliptic operators that can be extended to elasticity equations. The proofs of these homogenization results are based on a new class of elliptic inequalities which play the same role in our approach as the div-curl lemma in classical homogenization.

preprint2010arXiv

Long-Run Accuracy of Variational Integrators in the Stochastic Context

This paper presents a Lie-Trotter splitting for inertial Langevin equations (Geometric Langevin Algorithm) and analyzes its long-time statistical properties. The splitting is defined as a composition of a variational integrator with an Ornstein-Uhlenbeck flow. Assuming the exact solution and the splitting are geometrically ergodic, the paper proves the discrete invariant measure of the splitting approximates the invariant measure of inertial Langevin to within the accuracy of the variational integrator in representing the Hamiltonian. In particular, if the variational integrator admits no energy error, then the method samples the invariant measure of inertial Langevin without error. Numerical validation is provided using explicit variational integrators with first, second, and fourth order accuracy.

preprint2010arXiv

Non-intrusive and structure preserving multiscale integration of stiff ODEs, SDEs and Hamiltonian systems with hidden slow dynamics via flow averaging

We introduce a new class of integrators for stiff ODEs as well as SDEs. These integrators are (i) {\it Multiscale}: they are based on flow averaging and so do not fully resolve the fast variables and have a computational cost determined by slow variables (ii) {\it Versatile}: the method is based on averaging the flows of the given dynamical system (which may have hidden slow and fast processes) instead of averaging the instantaneous drift of assumed separated slow and fast processes. This bypasses the need for identifying explicitly (or numerically) the slow or fast variables (iii) {\it Nonintrusive}: A pre-existing numerical scheme resolving the microscopic time scale can be used as a black box and easily turned into one of the integrators in this paper by turning the large coefficients on over a microscopic timescale and off during a mesoscopic timescale (iv) {\it Convergent over two scales}: strongly over slow processes and in the sense of measures over fast ones. We introduce the related notion of two-scale flow convergence and analyze the convergence of these integrators under the induced topology (v) {\it Structure preserving}: for stiff Hamiltonian systems (possibly on manifolds), they can be made to be symplectic, time-reversible, and symmetry preserving (symmetries are group actions that leave the system invariant) in all variables. They are explicit and applicable to arbitrary stiff potentials (that need not be quadratic). Their application to the Fermi-Pasta-Ulam problems shows accuracy and stability over four orders of magnitude of time scales. For stiff Langevin equations, they are symmetry preserving, time-reversible and Boltzmann-Gibbs reversible, quasi-symplectic on all variables and conformally symplectic with isotropic friction.

preprint2010arXiv

Structure preserving Stochastic Impulse Methods for stiff Langevin systems with a uniform global error of order 1 or 1/2 on position

Impulse methods are generalized to a family of integrators for Langevin systems with quadratic stiff potentials and arbitrary soft potentials. Uniform error bounds (independent from stiff parameters) are obtained on integrated positions allowing for coarse integration steps. The resulting integrators are explicit and structure preserving (quasi-symplectic for Langevin systems).

preprint2010arXiv

Temperature and Friction Accelerated Sampling of Boltzmann-Gibbs Distribution

This paper is concerned with tuning friction and temperature in Langevin dynamics for fast sampling from the canonical ensemble. We show that near-optimal acceleration is achieved by choosing friction so that the local quadratic approximation of the Hamiltonian is a critical damped oscillator. The system is also over-heated and cooled down to its final temperature. The performances of different cooling schedules are analyzed as functions of total simulation time.

preprint2007arXiv

Bistable equilibrium points of mercury body burden

In the last century mercury levels in the global environment have tripled as a result of increased pollution from industrial, occupational, medicinal and domestic uses \cite{BaMe03}. Glutathione is known to be the main agent responsible for the excretion of mercury (we refer to \cite{Thim05}, \cite{ZalBar99} and \cite{Lyn02}). It has also been shown that mercury inhibits glutathione synthetase (an enzyme acting in the synthesization of Glutathione), therefore leading to decreased glutathione levels (we refer to \cite{Thim05}, \cite{GeGe05}, \cite{GeGe06} and \cite{RDeth04}). Mercury also interferes with the production of heme in the porphyrin pathway \cite{WoMaEc93}. Heme is needed for biological energy production and ability to detox organic toxins via the P450 enzymes \cite{Boy06}. The purpose of this paper is to show that body's response to mercury exposure is hysteretic, i.e. when this feedback of mercury on its main detoxifying agents is strong enough then mercury body burden has two points of equilibrium: one with normal abilities to detoxify and low levels of mercury and one with inhibited abilities to detoxify and high levels of mercury. Furthermore, a small increase of body's mercury burden may not be sufficient to trigger observable neurotoxic effects but it may be sufficient to act as a switch leading to an accumulation of mercury in the body through environmental exposure until its toxicity becomes manifest.

preprint2004arXiv

Super-diffusivity in a shear flow model from perpetual homogenization

This paper is concerned with the asymptotic behavior solutions of stochastic differential equations $dy_t=dω_t -\nabla Γ(y_t) dt$, $y_0=0$ and $d=2$. $Γ$ is a $2\times 2$ skew-symmetric matrix associated to a shear flow characterized by an infinite number of spatial scales $Γ_{12}=-Γ_{21}=h(x_1)$, with $h(x_1)=\sum_{n=0}^\infty γ_n h^n(x_1/R_n)$ where $h^n$ are smooth functions of period 1, $h^n(0)=0$, $γ_n$ and $R_n$ grow exponentially fast with $n$. We can show that $y_t$ has an anomalous fast behavior ($\E[|y_t|^2]\sim t^{1+ν}$ with $ν>0$) and obtain quantitative estimates on the anomaly using and developing the tools of homogenization.

preprint2002arXiv

Multi-scale homogenization with bounded ratios and Anomalous Slow Diffusion

We show that the effective diffusivity matrix $D(V^n)$ for the heat operator $\partial_t-(Δ/2-\nabla V^n \nabla)$ in a periodic potential $V^n=\sum_{k=0}^n U_k(x/R_k)$ obtained as a superposition of Holder-continuous periodic potentials $U_k$ (of period $\T^d:=\R^d/\Z^d$, $d\in \N^*$, $U_k(0)=0$) decays exponentially fast with the number of scales when the scale-ratios $R_{k+1}/R_k$ are bounded above and below. From this we deduce the anomalous slow behavior for a Brownian Motion in a potential obtained as a superposition of an infinite number of scales: $dy_t=dω_t -\nabla V^\infty(y_t) dt$

Houman Owhadi

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33 published item(s)

Dictionary learning for Kernel EDMD

ISOMORPH: A Supply Chain Digital Twin for Simulation, Dataset Generation, and Forecasting Benchmarks

Computational Graph Completion

Uncertainty Quantification of the 4th kind; optimal posterior accuracy-uncertainty tradeoff with the minimum enclosing ball

Competitive Mirror Descent

Kernel Mode Decomposition and programmable/interpretable regression networks

Extreme points of a ball about a measure with finite support

Qualitative Robustness in Bayesian Inference

Separability of reproducing kernel spaces

Bayesian Numerical Homogenization

Brittleness of Bayesian Inference Under Finite Information in a Continuous World

Conditioning Gaussian measure on Hilbert space

Convex Optimal Uncertainty Quantification

On the Brittleness of Bayesian Inference

Temporal homogenization of linear ODEs, with applications to parametric super-resonance and energy harvest

Brittleness of Bayesian inference and new Selberg formulas

Variational and linearly-implicit integrators, with applications

Control of a Model of DNA Division via Parametric Resonance

Optimal Uncertainty Quantification

From efficient symplectic exponentiation of matrices to symplectic integration of high-dimensional Hamiltonian systems with slowly varying quadratic stiff potentials

Localized bases for finite dimensional homogenization approximations with non-separated scales and high-contrast

Space-time FLAVORS: finite difference, multisymlectic, and pseudospectral integrators for multiscale PDEs

Variational integrators for electric circuits

A non-adapted sparse approximation of PDEs with stochastic inputs

Equivalence of concentration inequalities for linear and non-linear functions

Flux norm approach to finite dimensional homogenization approximations with non-separated scales and high contrast

Long-Run Accuracy of Variational Integrators in the Stochastic Context

Non-intrusive and structure preserving multiscale integration of stiff ODEs, SDEs and Hamiltonian systems with hidden slow dynamics via flow averaging

Structure preserving Stochastic Impulse Methods for stiff Langevin systems with a uniform global error of order 1 or 1/2 on position

Temperature and Friction Accelerated Sampling of Boltzmann-Gibbs Distribution

Bistable equilibrium points of mercury body burden

Super-diffusivity in a shear flow model from perpetual homogenization

Multi-scale homogenization with bounded ratios and Anomalous Slow Diffusion