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In this paper we present a general, axiomatical framework for the rigorous approximation of invariant densities and other important statistical features of dynamics. We approximate the system trough a finite element reduction, by composing the associated transfer operator with a suitable finite dimensional projection (a discretization scheme) as in the well-known Ulam method. We introduce a general framework based on a list of properties (of the system and of the projection) that need to be verified so that we can take advantage of a so-called ``coarse-fine'' strategy. This strategy is a novel method in which we exploit information coming from a coarser approximation of the system to get useful information on a finer approximation, speeding up the computation. This coarse-fine strategy allows a precise estimation of invariant densities and also allows to estimate rigorously the speed of mixing of the system by the speed of mixing of a coarse approximation of it, which can easily be estimated by the computer. The estimates obtained here are rigourous, i.e., they come with exact error bounds that are guaranteed to hold and take into account both the discretiazation and the approximations induced by finite-precision arithmetic. We apply this framework to several discretization schemes and examples of invariant density computation from previous works, obtaining a remarkable reduction in computation time. We have implemented the numerical methods described here in the Julia programming language, and released our implementation publicly as a Julia package.

We study geometric variations of the discriminating code problem. In the \emph{discrete version} of the problem, a finite set of points $P$ and a finite set of objects $S$ are given in $\mathbb{R}^d$. The objective is to choose a subset $S^* \subseteq S$ of minimum cardinality such that for each point $p_i \in P$, the subset $S_i^* \subseteq S^*$ covering $p_i$ satisfies $S_i^*\neq \emptyset$, and each pair $p_i,p_j \in P$, $i \neq j$, we have $S_i^* \neq S_j^*$. In the \emph{continuous version} of the problem, the solution set $S^*$ can be chosen freely among a (potentially infinite) class of allowed geometric objects. In the 1-dimensional case ($d=1$), the points in $P$ are placed on a horizontal line $L$, and the objects in $S$ are finite-length line segments aligned with $L$ (called intervals). We show that the discrete version of this problem is NP-complete. This is somewhat surprising as the continuous version is known to be polynomial-time solvable. Still, for the 1-dimensional discrete version, we design a polynomial-time $2$-approximation algorithm. We also design a PTAS for both discrete and continuous versions in one dimension, for the restriction where the intervals are all required to have the same length. We then study the 2-dimensional case ($d=2$) for axis-parallel unit square objects. We show that both continuous and discrete versions are NP-complete, and design polynomial-time approximation algorithms that produce $(16\cdot OPT+1)$-approximate and $(64\cdot OPT+1)$-approximate solutions respectively, using rounding of suitably defined integer linear programming problems. We show that the identifying code problem for axis-parallel unit square intersection graphs (in $d=2$) can be solved in the same manner as for the discrete version of the discriminating code problem for unit square objects.

Given ample experimental data from a system governed by differential equations, it is possible to use deep learning techniques to construct the underlying differential operators. In this work we perform symbolic discovery of differential operators in a situation where there is sparse experimental data. This small data regime in machine learning can be made tractable by providing our algorithms with prior information about the underlying dynamics. Physics Informed Neural Networks (PINNs) have been very successful in this regime (reconstructing entire ODE solutions using only a single point or entire PDE solutions with very few measurements of the initial condition). We modify the PINN approach by adding a neural network that learns a representation of unknown hidden terms in the differential equation. The algorithm yields both a surrogate solution to the differential equation and a black-box representation of the hidden terms. These hidden term neural networks can then be converted into symbolic equations using symbolic regression techniques like AI Feynman. In order to achieve convergence of these neural networks, we provide our algorithms with (noisy) measurements of both the initial condition as well as (synthetic) experimental data obtained at later times. We demonstrate strong performance of this approach even when provided with very few measurements of noisy data in both the ODE and PDE regime.

This article develops a convex description of a classical or quantum learner's or agent's state of knowledge about its environment, presented as a convex subset of a commutative R-algebra. With caveats, this leads to a generalization of certain semidefinite programs in quantum information (such as those describing the universal query algorithm dual to the quantum adversary bound, related to optimal learning or control of the environment) to the classical and faulty-quantum setting, which would not be possible with a naive description via joint probability distributions over environment and internal memory. More philosophically, it also makes an interpretation of the set of reduced density matrices as "states of knowledge" of an observer of its environment, related to these techniques, more explicit. As another example, I describe and solve a formal differential equation of states of knowledge in that algebra, where an agent obtains experimental data in a Poissonian process, and its state of knowledge evolves as an exponential power series. However, this framework currently lacks impressive applications, and I post it in part to solicit feedback and collaboration on those. In particular, it may be possible to develop it into a new framework for the design of experiments, e.g. the problem of finding maximally informative questions to ask human labelers or the environment in machine-learning problems. The parts of the article not related to quantum information don't assume knowledge of it.

Over-the-air computation has the potential to increase the communication-efficiency of data-dependent distributed wireless systems, but is vulnerable to eavesdropping. We consider over-the-air computation over block-fading additive white Gaussian noise channels in the presence of a passive eavesdropper. The goal is to design a secure over-the-air computation scheme. We propose a scheme that achieves MSE-security against the eavesdropper by employing zero-forced artificial noise, while keeping the distortion at the legitimate receiver small. In contrast to former approaches, the security does not depend on external helper nodes to jam the eavesdropper's receive signal. We thoroughly design the system parameters of the scheme, propose an artificial noise design that harnesses unused transmit power for security, and give an explicit construction rule. Our design approach is applicable both if the eavesdropper's channel coefficients are known and if they are unknown in the signal design. Simulations demonstrate the performance, and show that our noise design outperforms other methods.

We present a case study investigating feature descriptors in the context of the analysis of chemical multivariate ensemble data. The data of each ensemble member consists of three parts: the design parameters for each ensemble member, field data resulting from the numerical simulations, and physical properties of the molecules. Since feature-based methods have the potential to reduce the data complexity and facilitate comparison and clustering, we are focusing on such methods. However, there are many options to design the feature vector representation and there is no obvious preference. To get a better understanding of the different representations, we analyze their similarities and differences. Thereby, we focus on three characteristics derived from the representations: the distribution of pairwise distances, the clustering tendency, and the rank-order of the pairwise distances. The results of our investigations partially confirmed expected behavior, but also provided some surprising observations that can be used for the future development of feature representations in the chemical domain.

Via operator theoretic methods, we formalize the concentration phenomenon for a given observable `$r$' of a discrete time Markov chain with `$\mu_{\pi}$' as invariant ergodic measure, possibly having support on an unbounded state space. The main contribution of this paper is circumventing tedious probabilistic methods with a study of a composition of the Markov transition operator $P$ followed by a multiplication operator defined by $e^{r}$. It turns out that even if the observable/ reward function is unbounded, but for some for some $q>2$, $\|e^{r}\|_{q \rightarrow 2} \propto \exp\big(\mu_{\pi}(r) +\frac{2q}{q-2}\big) $ and $P$ is hyperbounded with norm control $\|P\|_{2 \rightarrow q }< e^{\frac{1}{2}[\frac{1}{2}-\frac{1}{q}]}$, sharp non-asymptotic concentration bounds follow. \emph{Transport-entropy} inequality ensures the aforementioned upper bound on multiplication operator for all $q>2$. The role of \emph{reversibility} in concentration phenomenon is demystified. These results are particularly useful for the reinforcement learning and controls communities as they allow for concentration inequalities w.r.t standard unbounded obersvables/reward functions where exact knowledge of the system is not available, let alone the reversibility of stationary measure.

We propose finite-time measures to compute the divergence, the curl and the velocity gradient tensor of the point particle velocity for two- and three-dimensional moving particle clouds. To this end, tessellation of the particle positions is applied to associate a volume to each particle. Considering then two subsequent time instants, the dynamics of the volume can be assessed. Determining the volume change of tessellation cells yields the divergence of the particle velocity and the rotation of the cells evaluates its curl. Thus the helicity of particle velocity can be likewise computed and swirling motion of particle clouds can be quantified. We propose a modified version of Voronoi tessellation and which overcomes some drawbacks of the classical Voronoi tessellation. First we assess the numerical accuracy for randomly distributed particles. We find strong Pearson correlation between the divergence computed with the the modified version, and the analytic value which confirms the validity of the method. Moreover the modified Voronoi-based method converges with first order in space and time is observed in two and three dimensions for randomly distributed particles, which is not the case for the classical Voronoi tessellation. Furthermore, we consider for advecting particles, random velocity fields with imposed power-law energy spectra, motivated by turbulence. We determine the number of particles necessary to guarantee a given precision. Finally, applications to fluid particles advected in three-dimensional fully developed isotropic turbulence show the utility of the approach for real world applications to quantify self-organization in particle clouds and their vortical or even swirling motion.

Multilevel Stein variational gradient descent is a method for particle-based variational inference that leverages hierarchies of approximations of target distributions with varying costs and fidelity to computationally speed up inference. This work provides a cost complexity analysis of multilevel Stein variational gradient descent that applies under milder conditions than previous results, especially in discrete-in-time regimes and beyond the limited settings where Stein variational gradient descent achieves exponentially fast convergence. The analysis shows that the convergence rate of Stein variational gradient descent enters only as a constant factor for the cost complexity of the multilevel version, which means that the costs of the multilevel version scale independently of the convergence rate of Stein variational gradient descent on a single level. Numerical experiments with Bayesian inverse problems of inferring discretized basal sliding coefficient fields of the Arolla glacier ice demonstrate that multilevel Stein variational gradient descent achieves orders of magnitude speedups compared to its single-level version.

This paper focuses on the expected difference in borrower's repayment when there is a change in the lender's credit decisions. Classical estimators overlook the confounding effects and hence the estimation error can be magnificent. As such, we propose another approach to construct the estimators such that the error can be greatly reduced. The proposed estimators are shown to be unbiased, consistent, and robust through a combination of theoretical analysis and numerical testing. Moreover, we compare the power of estimating the causal quantities between the classical estimators and the proposed estimators. The comparison is tested across a wide range of models, including linear regression models, tree-based models, and neural network-based models, under different simulated datasets that exhibit different levels of causality, different degrees of nonlinearity, and different distributional properties. Most importantly, we apply our approaches to a large observational dataset provided by a global technology firm that operates in both the e-commerce and the lending business. We find that the relative reduction of estimation error is strikingly substantial if the causal effects are accounted for correctly.