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Hamiltonian Monte Carlo (HMC) is a powerful tool for Bayesian statistical inference due to its potential to rapidly explore high dimensional state space, avoiding the random walk behavior typical of many Markov Chain Monte Carlo samplers. The proper choice of the integrator of the Hamiltonian dynamics is key to the efficiency of HMC. It is becoming increasingly clear that multi-stage splitting integrators are a good alternative to the Verlet method, traditionally used in HMC. Here we propose a principled way of finding optimal, problem-specific integration schemes (in terms of the best conservation of energy for harmonic forces/Gaussian targets) within the families of 2- and 3-stage splitting integrators. The method, which we call Adaptive Integration Approach for statistics, or s-AIA, uses a multivariate Gaussian model and simulation data obtained at the HMC burn-in stage to identify a system-specific dimensional stability interval and assigns the most appropriate 2-/3-stage integrator for any user-chosen simulation step size within that interval. s-AIA has been implemented in the in-house software package HaiCS without introducing computational overheads in the simulations. The efficiency of the s-AIA integrators and their impact on the HMC accuracy, sampling performance and convergence are discussed in comparison with known fixed-parameter multi-stage splitting integrators (including Verlet). Numerical experiments on well-known statistical models show that the adaptive schemes reach the best possible performance within the family of 2-, 3-stage splitting schemes.

Extended Vision techniques are ubiquitous in physics. However, the data cubes steaming from such analysis often pose a challenge in their interpretation, due to the intrinsic difficulty in discerning the relevant information from the spectra composing the data cube. Furthermore, the huge dimensionality of data cube spectra poses a complex task in its statistical interpretation; nevertheless, this complexity contains a massive amount of statistical information that can be exploited in an unsupervised manner to outline some essential properties of the case study at hand, e.g.~it is possible to obtain an image segmentation via (deep) clustering of data-cube's spectra, performed in a suitably defined low-dimensional embedding space. To tackle this topic, we explore the possibility of applying unsupervised clustering methods in encoded space, i.e. perform deep clustering on the spectral properties of datacube pixels. A statistical dimensional reduction is performed by an ad hoc trained (Variational) AutoEncoder, in charge of mapping spectra into lower dimensional metric spaces, while the clustering process is performed by a (learnable) iterative K-Means clustering algorithm. We apply this technique to two different use cases, of different physical origins: a set of Macro mapping X-Ray Fluorescence (MA-XRF) synthetic data on pictorial artworks, and a dataset of simulated astrophysical observations.

The modification of Amdahl's law for the case of increment of processor elements in a computer system is considered. The coefficient $k$ linking accelerations of parallel and parallel specialized computer systems is determined. The limiting values of the coefficient are investigated and its theoretical maximum is calculated. It is proved that $k$ > 1 for any positive increment of processor elements. The obtained formulas are combined into a single method allowing to determine the maximum theoretical acceleration of a parallel specialized computer system in comparison with the acceleration of a minimal parallel computer system. The method is tested on Apriori, k-nearest neighbors, CDF 9/7, fast Fourier transform and naive Bayesian classifier algorithms.

This paper is focused on the study of entropic regularization in optimal transport as a smoothing method for Wasserstein estimators, through the prism of the classical tradeoff between approximation and estimation errors in statistics. Wasserstein estimators are defined as solutions of variational problems whose objective function involves the use of an optimal transport cost between probability measures. Such estimators can be regularized by replacing the optimal transport cost by its regularized version using an entropy penalty on the transport plan. The use of such a regularization has a potentially significant smoothing effect on the resulting estimators. In this work, we investigate its potential benefits on the approximation and estimation properties of regularized Wasserstein estimators. Our main contribution is to discuss how entropic regularization may reach, at a lower computational cost, statistical performances that are comparable to those of un-regularized Wasserstein estimators in statistical learning problems involving distributional data analysis. To this end, we present new theoretical results on the convergence of regularized Wasserstein estimators. We also study their numerical performances using simulated and real data in the supervised learning problem of proportions estimation in mixture models using optimal transport.

Faithfully summarizing the knowledge encoded by a deep neural network (DNN) into a few symbolic primitive patterns without losing much information represents a core challenge in explainable AI. To this end, Ren et al. (2023c) have derived a series of theorems to prove that the inference score of a DNN can be explained as a small set of interactions between input variables. However, the lack of generalization power makes it still hard to consider such interactions as faithful primitive patterns encoded by the DNN. Therefore, given different DNNs trained for the same task, we develop a new method to extract interactions that are shared by these DNNs. Experiments show that the extracted interactions can better reflect common knowledge shared by different DNNs.

The Crank-Nicolson (CN) method is a well-known time integrator for evolutionary partial differential equations (PDEs) arising in many real-world applications. Since the solution at any time depends on the solution at previous time steps, the CN method will be inherently difficult to parallelize. In this paper, we consider a parallel method for the solution of evolutionary PDEs with the CN scheme. Using an all-at-once approach, we can solve for all time steps simultaneously using a parallelizable over time preconditioner within a standard iterative method. Due to the diagonalization of the proposed preconditioner, we can prove that most eigenvalues of preconditioned matrices are equal to 1 and the others lie in the set: $\left\{z\in\mathbb{C}: 1/(1 + \alpha) < |z| < 1/(1 - \alpha)~{\rm and}~\Re{e}(z) > 0\right\}$, where $0 < \alpha < 1$ is a free parameter. Meanwhile, the efficient implementation of this proposed preconditioner is described and a mesh-independent convergence rate of the preconditioned GMRES method is derived under certain conditions. Finally, we will verify our theoretical findings via numerical experiments on financial option pricing partial differential equations.

Physiological fatigue, a state of reduced cognitive and physical performance resulting from prolonged mental or physical exertion, poses significant challenges in various domains, including healthcare, aviation, transportation, and industrial sectors. As the understanding of fatigue's impact on human performance grows, there is a growing interest in developing effective fatigue monitoring techniques. Among these techniques, electroencephalography (EEG) has emerged as a promising tool for objectively assessing physiological fatigue due to its non-invasiveness, high temporal resolution, and sensitivity to neural activity. This paper aims to provide a comprehensive analysis of the current state of the use of EEG for monitoring physiological fatigue.

We determine the material parameters in the relaxed micromorphic generalized continuum model for a given periodic microstructure in this work. This is achieved through a least squares fitting of the total energy of the relaxed micromorphic homogeneous continuum to the total energy of the fully-resolved heterogeneous microstructure, governed by classical linear elasticity. The relaxed micromorphic model is a generalized continuum that utilizes the $\Curl$ of a micro-distortion field instead of its full gradient as in the classical micromorphic theory, leading to several advantages and differences. The most crucial advantage is that it operates between two well-defined scales. These scales are determined by linear elasticity with microscopic and macroscopic elasticity tensors, which respectively bound the stiffness of the relaxed micromorphic continuum from above and below. While the macroscopic elasticity tensor is established a priori through standard periodic first-order homogenization, the microscopic elasticity tensor remains to be determined. Additionally, the characteristic length parameter, associated with curvature measurement, controls the transition between the micro- and macro-scales. Both the microscopic elasticity tensor and the characteristic length parameter are here determined using a computational approach based on the least squares fitting of energies. This process involves the consideration of an adequate number of quadratic deformation modes and different specimen sizes. We conduct a comparative analysis between the least square fitting results of the relaxed micromorphic model, the fitting of a skew-symmetric micro-distortion field (Cosserat-micropolar model), and the fitting of the classical micromorphic model with two different formulations for the curvature...

We present efficient MATLAB implementations of the lowest-order primal hybrid finite element method (FEM) for linear second-order elliptic and parabolic problems with mixed boundary conditions in two spatial dimensions. We employ the Crank-Nicolson finite difference scheme for the complete discrete setup of the parabolic problem. All the codes presented are fully vectorized using matrix-wise array operations. Numerical experiments are conducted to show the performance of the software.

Necessary and sufficient conditions of uniform consistency are explored. A hypothesis is simple. Nonparametric sets of alternatives are bounded convex sets in $\mathbb{L}_p$, $p >1$ with "small" balls deleted. The "small" balls have the center at the point of hypothesis and radii of balls tend to zero as sample size increases. For problem of hypothesis testing on a density, we show that, for the sets of alternatives, there are uniformly consistent tests for some sequence of radii of the balls, if and only if, convex set is relatively compact. The results are established for problem of hypothesis testing on a density, for signal detection in Gaussian white noise, for linear ill-posed problems with random Gaussian noise and so on.