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In this work, a space-time scheme for goal-oriented a posteriori error estimation is proposed. The error estimator is evaluated using a partition-of-unity dual-weighted residual method. As application, a low mach number combustion equation is considered. In some numerical tests, different interpolation variants are investigated, while observing convergence orders and effectivity indices between true errors (obtained on a sufficiently refined mesh) and the error estimator.

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Continuous-time (CT) models have shown an improved sample efficiency during learning and enable ODE analysis methods for enhanced interpretability compared to discrete-time (DT) models. Even with numerous recent developments, the multifaceted CT state-space model identification problem remains to be solved in full, considering common experimental aspects such as the presence of external inputs, measurement noise, and latent states. This paper presents a novel estimation method that includes these aspects and that is able to obtain state-of-the-art results on multiple benchmarks where a small fully connected neural network describes the CT dynamics. The novel estimation method called the subspace encoder approach ascertains these results by altering the well-known simulation loss to include short subsections instead, by using an encoder function and a state-derivative normalization term to obtain a computationally feasible and stable optimization problem. This encoder function estimates the initial states of each considered subsection. We prove that the existence of the encoder function has the necessary condition of a Lipschitz continuous state-derivative utilizing established properties of ODEs.

Community detection refers to the problem of clustering the nodes of a network into groups. Existing inferential methods for community structure mainly focus on unweighted (binary) networks. Many real-world networks are nonetheless weighted and a common practice is to dichotomize a weighted network to an unweighted one which is known to result in information loss. Literature on hypothesis testing in the latter situation is still missing. In this paper, we study the problem of testing the existence of community structure in weighted networks. Our contributions are threefold: (a). We use the (possibly infinite-dimensional) exponential family to model the weights and derive the sharp information-theoretic limit for the existence of consistent test. Within the limit, any test is inconsistent; and beyond the limit, we propose a useful consistent test. (b). Based on the information-theoretic limits, we provide the first formal way to quantify the loss of information incurred by dichotomizing weighted graphs into unweighted graphs in the context of hypothesis testing. (c). We propose several new and practically useful test statistics. Simulation study show that the proposed tests have good performance. Finally, we apply the proposed tests to an animal social network.

We investigate the feature compression of high-dimensional ridge regression using the optimal subsampling technique. Specifically, based on the basic framework of random sampling algorithm on feature for ridge regression and the A-optimal design criterion, we first obtain a set of optimal subsampling probabilities. Considering that the obtained probabilities are uneconomical, we then propose the nearly optimal ones. With these probabilities, a two step iterative algorithm is established which has lower computational cost and higher accuracy. We provide theoretical analysis and numerical experiments to support the proposed methods. Numerical results demonstrate the decent performance of our methods.

We consider M-estimation problems, where the target value is determined using a minimizer of an expected functional of a Levy process. With discrete observations from the Levy process, we can produce a "quasi-path" by shuffling increments of the Levy process, we call it a quasi-process. Under a suitable sampling scheme, a quasi-process can converge weakly to the true process according to the properties of the stationary and independent increments. Using this resampling technique, we can estimate objective functionals similar to those estimated using the Monte Carlo simulations, and it is available as a contrast function. The M-estimator based on these quasi-processes can be consistent and asymptotically normal.

We study the decentralized consensus and stochastic optimization problems with compressed communications over static directed graphs. We propose an iterative gradient-based algorithm that compresses messages according to a desired compression ratio. The proposed method provably reduces the communication overhead on the network at every communication round. Contrary to existing literature, we allow for arbitrary compression ratios in the communicated messages. We show a linear convergence rate for the proposed method on the consensus problem. Moreover, we provide explicit convergence rates for decentralized stochastic optimization problems on smooth functions that are either (i) strongly convex, (ii) convex, or (iii) non-convex. Finally, we provide numerical experiments to illustrate convergence under arbitrary compression ratios and the communication efficiency of our algorithm.

The minimum energy path (MEP) describes the mechanism of reaction, and the energy barrier along the path can be used to calculate the reaction rate in thermal systems. The nudged elastic band (NEB) method is one of the most commonly used schemes to compute MEPs numerically. It approximates an MEP by a discrete set of configuration images, where the discretization size determines both computational cost and accuracy of the simulations. In this paper, we consider a discrete MEP to be a stationary state of the NEB method and prove an optimal convergence rate of the discrete MEP with respect to the number of images. Numerical simulations for the transitions of some several proto-typical model systems are performed to support the theory.

White noise is a fundamental and fairly well understood stochastic process that conforms the conceptual basis for many other processes, as well as for the modeling of time series. Here we push a fresh perspective toward white noise that, grounded on combinatorial considerations, contributes to give new interesting insights both for modelling and theoretical purposes. To this aim, we incorporate the ordinal pattern analysis approach which allows us to abstract a time series as a sequence of patterns and their associated permutations, and introduce a simple functional over permutations that partitions them into classes encoding their level of asymmetry. We compute the exact probability mass function (p.m.f.) of this functional over the symmetric group of degree $n$, thus providing the description for the case of an infinite white noise realization. This p.m.f. can be conveniently approximated by a continuous probability density from an exponential family, the Gaussian, hence providing natural sufficient statistics that render a convenient and simple statistical analysis through ordinal patterns. Such analysis is exemplified on experimental data for the spatial increments from tracks of gold nanoparticles in 3D diffusion.

This paper proposes an active learning algorithm for solving regression and classification problems based on inverse-distance weighting functions for selecting the feature vectors to query. The algorithm has the following features: (i) supports both pool-based and population-based sampling; (ii) is independent of the type of predictor used; (iii) can handle known and unknown constraints on the queryable feature vectors; and (iv) can run either sequentially, or in batch mode, depending on how often the predictor is retrained. The method's potential is shown in numerical tests on illustrative synthetic problems and real-world regression and classification datasets from the UCI repository. A Python implementation of the algorithm that we call IDEAL (Inverse-Distance based Exploration for Active Learning), is available at \url{//cse.lab.imtlucca.it/~bemporad/ideal}.

Sufficient dimension reduction (SDR) is a successful tool in regression models. It is a feasible method to solve and analyze the nonlinear nature of the regression problems. This paper introduces the \textbf{itdr} R package that provides several functions based on integral transformation methods to estimate the SDR subspaces in a comprehensive and user-friendly manner. In particular, the \textbf{itdr} package includes the Fourier method (FM) and the convolution method (CM) of estimating the SDR subspaces such as the central mean subspace (CMS) and the central subspace (CS). In addition, the \textbf{itdr} package facilitates the recovery of the CMS and the CS by using the iterative Hessian transformation (IHT) method and the Fourier transformation approach for inverse dimension reduction method (invFM), respectively. Moreover, the use of the package is illustrated by three datasets. \textcolor{black}{Furthermore, this is the first package that implements integral transformation methods to estimate SDR subspaces. Hence, the \textbf{itdr} package may provide a huge contribution to research in the SDR field.

Residual networks (ResNets) have displayed impressive results in pattern recognition and, recently, have garnered considerable theoretical interest due to a perceived link with neural ordinary differential equations (neural ODEs). This link relies on the convergence of network weights to a smooth function as the number of layers increases. We investigate the properties of weights trained by stochastic gradient descent and their scaling with network depth through detailed numerical experiments. We observe the existence of scaling regimes markedly different from those assumed in neural ODE literature. Depending on certain features of the network architecture, such as the smoothness of the activation function, one may obtain an alternative ODE limit, a stochastic differential equation or neither of these. These findings cast doubts on the validity of the neural ODE model as an adequate asymptotic description of deep ResNets and point to an alternative class of differential equations as a better description of the deep network limit.

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