Like many other biological processes, calcium dynamics in neurons containing an endoplasmic reticulum are governed by diffusion-reaction equations on interface-separated domains. Interface conditions are typically described by systems of ordinary differential equations that provide fluxes across the interfaces. Using the calcium model as an example of this class of ODE-flux boundary interface problems, we prove the existence, uniqueness and boundedness of the solution by applying comparison theorem, fundamental solution of the parabolic operator and a strategy used in Picard's existence theorem. Then we propose and analyze an efficient implicit-explicit finite element scheme which is implicit for the parabolic operator and explicit for the nonlinear terms. We show that the stability does not depend on the spatial mesh size. Also the optimal convergence rate in $H^1$ norm is obtained. Numerical experiments illustrate the theoretical results.
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This article studies a priori error analysis for linear parabolic interface problems with measure data in time in a bounded convex polygonal domain in $\mathbb{R}^2$. We have used the standard continuous fitted finite element discretization for the space. Due to the low regularity of the data of the problem, the solution possesses very low regularity in the entire domain. A priori error bound in the $L^2(L^2(\Omega))$-norm for the spatially discrete finite element approximations are derived under minimal regularity with the help of the $L^2$ projection operators and the duality argument. The interfaces are assumed to be smooth for our purpose.
Understanding the role of regularization is a central question in Statistical Inference. Empirically, well-chosen regularization schemes often dramatically improve the quality of the inferred models by avoiding overfitting of the training data. We consider here the particular case of L 2 and L 1 regularizations in the Maximum A Posteriori (MAP) inference of generative pairwise graphical models. Based on analytical calculations on Gaussian multivariate distributions and numerical experiments on Gaussian and Potts models we study the likelihoods of the training, test, and 'generated data' (with the inferred models) sets as functions of the regularization strengths. We show in particular that, at its maximum, the test likelihood and the 'generated' likelihood, which quantifies the quality of the generated samples, have remarkably close values. The optimal value for the regularization strength is found to be approximately equal to the inverse sum of the squared couplings incoming on sites on the underlying network of interactions. Our results seem largely independent of the structure of the true underlying interactions that generated the data, of the regularization scheme considered, and are valid when small fluctuations of the posterior distribution around the MAP estimator are taken into account. Connections with empirical works on protein models learned from homologous sequences are discussed.
We consider an optimal control problem for the steady-state Kirchhoff equation, a prototype for nonlocal partial differential equations, different from fractional powers of closed operators. Existence and uniqueness of solutions of the state equation, existence of global optimal solutions, differentiability of the control-to-state map and first-order necessary optimality conditions are established. The aforementioned results require the controls to be functions in $H^1$ and subject to pointwise upper and lower bounds. In order to obtain the Newton differentiability of the optimality conditions, we employ a Moreau-Yosida-type penalty approach to treat the control constraints and study its convergence. The first-order optimality conditions of the regularized problems are shown to be Newton diffentiable, and a generalized Newton method is detailed. A discretization of the optimal control problem by piecewise linear finite elements is proposed and numerical results are presented.
Entanglement represents "the" key resource for several applications of quantum information processing, ranging from quantum communications to distributed quantum computing. Despite its fundamental importance, deterministic generation of maximally entangled qubits represents an on-going open problem. Here, we design a novel generation scheme exhibiting two attractive features, namely, i) deterministically generating genuinely multipartite entangled states, ii) without requiring any direct interaction between the qubits. Indeed, the only necessary condition is the possibility of coherently controlling -- according to the indefinite causal order framework -- the causal order among some unitaries acting on the qubits. Through the paper, we analyze and derive the conditions on the unitaries for deterministic generation, and we provide examples for unitaries practical implementation. We conclude the paper by discussing the scalability of the proposed scheme to higher dimensional GME states and by introducing some possible applications of the proposal for quantum networks.
Recently, Kim & Wilkening (Convergence of a mass-lumped finite element method for the Landau-Lifshitz equation, Quart. Appl. Math., 76, 383-405, 2018) proposed two novel predictor-corrector methods for the Landau-Lifshitz-Gilbert equation (LLG) in micromagnetics, which models the dynamics of the magnetization in ferromagnetic materials. Both integrators are based on the so-called Landau-Lifshitz form of LLG, use mass-lumped variational formulations discretized by first-order finite elements, and only require the solution of linear systems, despite the nonlinearity of LLG. The first(-order in time) method combines a linear update with an explicit projection of an intermediate approximation onto the unit sphere in order to fulfill the LLG-inherent unit-length constraint at the discrete level. In the second(-order in time) integrator, the projection step is replaced by a linear constraint-preserving variational formulation. In this paper, we extend the analysis of the integrators by proving unconditional well-posedness and by establishing a close connection of the methods with other approaches available in the literature. Moreover, the new analysis also provides a well-posed integrator for the Schr\"odinger map equation (which is the limit case of LLG for vanishing damping). Finally, we design an implicit-explicit strategy for the treatment of the lower-order field contributions, which significantly reduces the computational cost of the schemes, while preserving their theoretical properties.
We introduce a new class of estimators for the linear response of steady states of stochastic dynamics. We generalize the likelihood ratio approach and formulate the linear response as a product of two martingales, hence the name "martingale product estimators". We present a systematic derivation of the martingale product estimator, and show how to construct such estimator so its bias is consistent with the weak order of the numerical scheme that approximates the underlying stochastic differential equation. Motivated by the estimation of transport properties in molecular systems, we present a rigorous numerical analysis of the bias and variance for these new estimators in the case of Langevin dynamics. We prove that the variance is uniformly bounded in time and derive a specific form of the estimator for second-order splitting schemes for Langevin dynamics. For comparison, we also study the bias and variance of a Green-Kubo estimator, motivated, in part, by its variance growing linearly in time. Presented analysis shows that the new martingale product estimators, having uniformly bounded variance in time, offer a competitive alternative to the traditional Green-Kubo estimator. We compare on illustrative numerical tests the new estimators with results obtained by the Green-Kubo method.
The asymptotic behaviour of Linear Spectral Statistics (LSS) of the smoothed periodogram estimator of the spectral coherency matrix of a complex Gaussian high-dimensional time series $(\y_n)_{n \in \mathbb{Z}}$ with independent components is studied under the asymptotic regime where the sample size $N$ converges towards $+\infty$ while the dimension $M$ of $\y$ and the smoothing span of the estimator grow to infinity at the same rate in such a way that $\frac{M}{N} \rightarrow 0$. It is established that, at each frequency, the estimated spectral coherency matrix is close from the sample covariance matrix of an independent identically $\mathcal{N}_{\mathbb{C}}(0,\I_M)$ distributed sequence, and that its empirical eigenvalue distribution converges towards the Marcenko-Pastur distribution. This allows to conclude that each LSS has a deterministic behaviour that can be evaluated explicitly. Using concentration inequalities, it is shown that the order of magnitude of the supremum over the frequencies of the deviation of each LSS from its deterministic approximation is of the order of $\frac{1}{M} + \frac{\sqrt{M}}{N}+ (\frac{M}{N})^{3}$ where $N$ is the sample size. Numerical simulations supports our results.
We study a general class of entropy-regularized multi-variate LQG mean field games (MFGs) in continuous time with $K$ distinct sub-population of agents. We extend the notion of actions to action distributions (exploratory actions), and explicitly derive the optimal action distributions for individual agents in the limiting MFG. We demonstrate that the optimal set of action distributions yields an $\epsilon$-Nash equilibrium for the finite-population entropy-regularized MFG. Furthermore, we compare the resulting solutions with those of classical LQG MFGs and establish the equivalence of their existence.
Recent advances at the intersection of dense large graph limits and mean field games have begun to enable the scalable analysis of a broad class of dynamical sequential games with large numbers of agents. So far, results have been largely limited to graphon mean field systems with continuous-time diffusive or jump dynamics, typically without control and with little focus on computational methods. We propose a novel discrete-time formulation for graphon mean field games as the limit of non-linear dense graph Markov games with weak interaction. On the theoretical side, we give extensive and rigorous existence and approximation properties of the graphon mean field solution in sufficiently large systems. On the practical side, we provide general learning schemes for graphon mean field equilibria by either introducing agent equivalence classes or reformulating the graphon mean field system as a classical mean field system. By repeatedly finding a regularized optimal control solution and its generated mean field, we successfully obtain plausible approximate Nash equilibria in otherwise infeasible large dense graph games with many agents. Empirically, we are able to demonstrate on a number of examples that the finite-agent behavior comes increasingly close to the mean field behavior for our computed equilibria as the graph or system size grows, verifying our theory. More generally, we successfully apply policy gradient reinforcement learning in conjunction with sequential Monte Carlo methods.
We introduce a new family of deep neural network models. Instead of specifying a discrete sequence of hidden layers, we parameterize the derivative of the hidden state using a neural network. The output of the network is computed using a black-box differential equation solver. These continuous-depth models have constant memory cost, adapt their evaluation strategy to each input, and can explicitly trade numerical precision for speed. We demonstrate these properties in continuous-depth residual networks and continuous-time latent variable models. We also construct continuous normalizing flows, a generative model that can train by maximum likelihood, without partitioning or ordering the data dimensions. For training, we show how to scalably backpropagate through any ODE solver, without access to its internal operations. This allows end-to-end training of ODEs within larger models.
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