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We consider injective first-order interpretations that input and output trees of bounded height. The corresponding functions have polynomial output size, since a first-order interpretation can use a k-tuple of input nodes to represent a single output node. We prove that the equivalence problem for such functions is decidable, i.e. given two such interpretations, one can decide whether, for every input tree, the two output trees are isomorphic. We also give a calculus of typed functions and combinators which derives exactly injective first-order interpretations for unordered trees of bounded height. The calculus is based on a type system, where the type constructors are products, coproducts and a monad of multisets. Thanks to our results about tree-to-tree interpretations, the equivalence problem is decidable for this calculus. As an application, we show that the equivalence problem is decidable for first-order interpretations between classes of graphs that have bounded tree-depth. In all cases studied in this paper, first-order logic and MSO have the same expressive power, and hence all results apply also to MSO interpretations.

Generation of simulated detector response to collision products is crucial to data analysis in particle physics, but computationally very expensive. One subdetector, the calorimeter, dominates the computational time due to the high granularity of its cells and complexity of the interactions. Generative models can provide more rapid sample production, but currently require significant effort to optimize performance for specific detector geometries, often requiring many models to describe the varying cell sizes and arrangements, without the ability to generalize to other geometries. We develop a $\textit{geometry-aware}$ autoregressive model, which learns how the calorimeter response varies with geometry, and is capable of generating simulated responses to unseen geometries without additional training. The geometry-aware model outperforms a baseline unaware model by over $50\%$ in several metrics such as the Wasserstein distance between the generated and the true distributions of key quantities which summarize the simulated response. A single geometry-aware model could replace the hundreds of generative models currently designed for calorimeter simulation by physicists analyzing data collected at the Large Hadron Collider. This proof-of-concept study motivates the design of a foundational model that will be a crucial tool for the study of future detectors, dramatically reducing the large upfront investment usually needed to develop generative calorimeter models.

Permutation tests enable testing statistical hypotheses in situations when the distribution of the test statistic is complicated or not available. In some situations, the test statistic under investigation is multivariate, with the multiple testing problem being an important example. The corresponding multivariate permutation tests are then typically based on a suitableone-dimensional transformation of the vector of partial permutation p-values via so called combining functions. This paper proposes a new approach that utilizes the optimal measure transportation concept. The final single p-value is computed from the empirical center-outward distribution function of the permuted multivariate test statistics. This method avoids computation of the partial p-values and it is easy to be implemented. In addition, it allows to compute and interpret contributions of the components of the multivariate test statistic to the non-conformity score and to the rejection of the null hypothesis. Apart from this method, the measure transportation is applied also to the vector of partial p-values as an alternative to the classical combining functions. Both techniques are compared with the standard approaches using various practical examples in a Monte Carlo study. An application on a functional data set is provided as well.

We combine the recent relaxation approach with multiderivative Runge-Kutta methods to preserve conservation or dissipation of entropy functionals for ordinary and partial differential equations. Relaxation methods are minor modifications of explicit and implicit schemes, requiring only the solution of a single scalar equation per time step in addition to the baseline scheme. We demonstrate the robustness of the resulting methods for a range of test problems including the 3D compressible Euler equations. In particular, we point out improved error growth rates for certain entropy-conservative problems including nonlinear dispersive wave equations.

Sparse polynomial approximation has become indispensable for approximating smooth, high- or infinite-dimensional functions from limited samples. This is a key task in computational science and engineering, e.g., surrogate modelling in uncertainty quantification where the function is the solution map of a parametric or stochastic differential equation (DE). Yet, sparse polynomial approximation lacks a complete theory. On the one hand, there is a well-developed theory of best $s$-term polynomial approximation, which asserts exponential or algebraic rates of convergence for holomorphic functions. On the other, there are increasingly mature methods such as (weighted) $\ell^1$-minimization for computing such approximations. While the sample complexity of these methods has been analyzed with compressed sensing, whether they achieve best $s$-term approximation rates is not fully understood. Furthermore, these methods are not algorithms per se, as they involve exact minimizers of nonlinear optimization problems. This paper closes these gaps. Specifically, we consider the following question: are there robust, efficient algorithms for computing approximations to finite- or infinite-dimensional, holomorphic and Hilbert-valued functions from limited samples that achieve best $s$-term rates? We answer this affirmatively by introducing algorithms and theoretical guarantees that assert exponential or algebraic rates of convergence, along with robustness to sampling, algorithmic, and physical discretization errors. We tackle both scalar- and Hilbert-valued functions, this being key to parametric or stochastic DEs. Our results involve significant developments of existing techniques, including a novel restarted primal-dual iteration for solving weighted $\ell^1$-minimization problems in Hilbert spaces. Our theory is supplemented by numerical experiments demonstrating the efficacy of these algorithms.

We study integration and $L^2$-approximation of functions of infinitely many variables in the following setting: The underlying function space is the countably infinite tensor product of univariate Hermite spaces and the probability measure is the corresponding product of the standard normal distribution. The maximal domain of the functions from this tensor product space is necessarily a proper subset of the sequence space $\mathbb{R}^\mathbb{N}$. We establish upper and lower bounds for the minimal worst case errors under general assumptions; these bounds do match for tensor products of well-studied Hermite spaces of functions with finite or with infinite smoothness. In the proofs we employ embedding results, and the upper bounds are attained constructively with the help of multivariate decomposition methods.

This paper addresses the fundamental task of estimating covariance matrix functions for high-dimensional functional data/functional time series. We consider two functional factor structures encompassing either functional factors with scalar loadings or scalar factors with functional loadings, and postulate functional sparsity on the covariance of idiosyncratic errors after taking out the common unobserved factors. To facilitate estimation, we rely on the spiked matrix model and its functional generalization, and derive some novel asymptotic identifiability results, based on which we develop DIGIT and FPOET estimators under two functional factor models, respectively. Both estimators involve performing associated eigenanalysis to estimate the covariance of common components, followed by adaptive functional thresholding applied to the residual covariance. We also develop functional information criteria for the purpose of model selection. The convergence rates of estimated factors, loadings, and conditional sparse covariance matrix functions under various functional matrix norms, are respectively established for DIGIT and FPOET estimators. Numerical studies including extensive simulations and two real data applications on mortality rates and functional portfolio allocation are conducted to examine the finite-sample performance of the proposed methodology.

Quantifying the difference between two probability density functions, $p$ and $q$, using available data, is a fundamental problem in Statistics and Machine Learning. A usual approach for addressing this problem is the likelihood-ratio estimation (LRE) between $p$ and $q$, which -- to our best knowledge -- has been investigated mainly for the offline case. This paper contributes by introducing a new framework for online non-parametric LRE (OLRE) for the setting where pairs of iid observations $(x_t \sim p, x'_t \sim q)$ are observed over time. The non-parametric nature of our approach has the advantage of being agnostic to the forms of $p$ and $q$. Moreover, we capitalize on the recent advances in Kernel Methods and functional minimization to develop an estimator that can be efficiently updated online. We provide theoretical guarantees for the performance of the OLRE method along with empirical validation in synthetic experiments.

We propose a new framework for the simultaneous inference of monotone and smoothly time-varying functions under complex temporal dynamics utilizing the monotone rearrangement and the nonparametric estimation. We capitalize the Gaussian approximation for the nonparametric monotone estimator and construct the asymptotically correct simultaneous confidence bands (SCBs) by carefully designed bootstrap methods. We investigate two general and practical scenarios. The first is the simultaneous inference of monotone smooth trends from moderately high-dimensional time series, and the proposed algorithm has been employed for the joint inference of temperature curves from multiple areas. Specifically, most existing methods are designed for a single monotone smooth trend. In such cases, our proposed SCB empirically exhibits the narrowest width among existing approaches while maintaining confidence levels, and has been used for testing several hypotheses tailored to global warming. The second scenario involves simultaneous inference of monotone and smoothly time-varying regression coefficients in time-varying coefficient linear models. The proposed algorithm has been utilized for testing the impact of sunshine duration on temperature which is believed to be increasing by the increasingly severe greenhouse effect. The validity of the proposed methods has been justified in theory as well as by extensive simulations.

In prediction settings where data are collected over time, it is often of interest to understand both the importance of variables for predicting the response at each time point and the importance summarized over the time series. Building on recent advances in estimation and inference for variable importance measures, we define summaries of variable importance trajectories. These measures can be estimated and the same approaches for inference can be applied regardless of the choice of the algorithm(s) used to estimate the prediction function. We propose a nonparametric efficient estimation and inference procedure as well as a null hypothesis testing procedure that are valid even when complex machine learning tools are used for prediction. Through simulations, we demonstrate that our proposed procedures have good operating characteristics, and we illustrate their use by investigating the longitudinal importance of risk factors for suicide attempt.