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This paper presents a novel approach to construct regularizing operators for severely ill-posed Fredholm integral equations of the first kind by introducing parametrized discretization. The optimal values of discretization and regularization parameters are computed simultaneously by solving a minimization problem formulated based on a regularization parameter search criterion. The effectiveness of the proposed approach is demonstrated through examples of noisy Laplace transform inversions and the deconvolution of nuclear magnetic resonance relaxation data.

In general, high order splitting methods suffer from an order reduction phenomena when applied to the time integration of partial differential equations with non-periodic boundary conditions. In the last decade, there were introduced several modifications to prevent the second order Strang Splitting method from such a phenomena. In this article, inspired by these recent corrector techniques, we introduce a splitting method of order three for a class of semilinear parabolic problems that avoids order reduction in the context of non-periodic boundary conditions. We give a proof for the third order convergence of the method in a simplified linear setting and confirm the result by numerical experiments. Moreover, we show numerically that the high order convergence persists for an order four variant of a splitting method, and also for a nonlinear source term.

With the increasing availability of large scale datasets, computational power and tools like automatic differentiation and expressive neural network architectures, sequential data are now often treated in a data-driven way, with a dynamical model trained from the observation data. While neural networks are often seen as uninterpretable black-box architectures, they can still benefit from physical priors on the data and from mathematical knowledge. In this paper, we use a neural network architecture which leverages the long-known Koopman operator theory to embed dynamical systems in latent spaces where their dynamics can be described linearly, enabling a number of appealing features. We introduce methods that enable to train such a model for long-term continuous reconstruction, even in difficult contexts where the data comes in irregularly-sampled time series. The potential for self-supervised learning is also demonstrated, as we show the promising use of trained dynamical models as priors for variational data assimilation techniques, with applications to e.g. time series interpolation and forecasting.

Developing an efficient computational scheme for high-dimensional Bayesian variable selection in generalised linear models and survival models has always been a challenging problem due to the absence of closed-form solutions for the marginal likelihood. The RJMCMC approach can be employed to samples model and coefficients jointly, but effective design of the transdimensional jumps of RJMCMC can be challenge, making it hard to implement. Alternatively, the marginal likelihood can be derived using data-augmentation scheme e.g. Polya-gamma data argumentation for logistic regression) or through other estimation methods. However, suitable data-augmentation schemes are not available for every generalised linear and survival models, and using estimations such as Laplace approximation or correlated pseudo-marginal to derive marginal likelihood within a locally informed proposal can be computationally expensive in the "large n, large p" settings. In this paper, three main contributions are presented. Firstly, we present an extended Point-wise implementation of Adaptive Random Neighbourhood Informed proposal (PARNI) to efficiently sample models directly from the marginal posterior distribution in both generalised linear models and survival models. Secondly, in the light of the approximate Laplace approximation, we also describe an efficient and accurate estimation method for the marginal likelihood which involves adaptive parameters. Additionally, we describe a new method to adapt the algorithmic tuning parameters of the PARNI proposal by replacing the Rao-Blackwellised estimates with the combination of a warm-start estimate and an ergodic average. We present numerous numerical results from simulated data and 8 high-dimensional gene fine mapping data-sets to showcase the efficiency of the novel PARNI proposal compared to the baseline add-delete-swap proposal.

The knockoff filter of Barber and Candes (arXiv:1404.5609) is a flexible framework for multiple testing in supervised learning models, based on introducing synthetic predictor variables to control the false discovery rate (FDR). Using the conditional calibration framework of Fithian and Lei (arXiv:2007.10438), we introduce the calibrated knockoff procedure, a method that uniformly improves the power of any knockoff procedure. We implement our method for fixed-X knockoffs and show theoretically and empirically that the improvement is especially notable in two contexts where knockoff methods can be nearly powerless: when the rejection set is small, and when the structure of the design matrix prevents us from constructing good knockoff variables. In these contexts, calibrated knockoffs even outperform competing FDR-controlling methods like the (dependence-adjusted) Benjamini-Hochberg procedure in many scenarios.

It is disproved the Tokareva's conjecture that any balanced boolean function of appropriate degree is a derivative of some bent function. This result is based on new upper bounds for the numbers of bent and plateaued functions.

Simulating physical problems involving multi-time scale coupling is challenging due to the need of solving these multi-time scale processes simultaneously. In response to this challenge, this paper proposed an explicit multi-time step algorithm coupled with a solid dynamic relaxation scheme. The explicit scheme simplifies the equation system in contrast to the implicit scheme, while the multi-time step algorithm allows the equations of different physical processes to be solved under different time step sizes. Furthermore, an implicit viscous damping relaxation technique is applied to significantly reduce computational iterations required to achieve equilibrium in the comparatively fast solid response process. To validate the accuracy and efficiency of the proposed algorithm, two distinct scenarios, i.e., a nonlinear hardening bar stretching and a fluid diffusion coupled with Nafion membrane flexure, are simulated. The results show good agreement with experimental data and results from other numerical methods, and the simulation time is reduced firstly by independently addressing different processes with the multi-time step algorithm and secondly decreasing solid dynamic relaxation time through the incorporation of damping techniques.

In this paper we establish limit theorems for power variations of stochastic processes controlled by fractional Brownian motions with Hurst parameter $H\leq 1/2$. We show that the power variations of such processes can be decomposed into the mix of several weighted random sums plus some remainder terms, and the convergences of power variations are dominated by different combinations of those weighted sums depending on whether $H<1/4$, $H=1/4$, or $H>1/4$. We show that when $H\geq 1/4$ the centered power variation converges stably at the rate $n^{-1/2}$, and when $H<1/4$ it converges in probability at the rate $n^{-2H}$. We determine the limit of the mixed weighted sum based on a rough path approach developed in \cite{LT20}.

A novel overlapping domain decomposition splitting algorithm based on a Crank-Nisolson method is developed for the stochastic nonlinear Schroedinger equation driven by a multiplicative noise with non-periodic boundary conditions. The proposed algorithm can significantly reduce the computational cost while maintaining the similar conservation laws. Numerical experiments are dedicated to illustrating the capability of the algorithm for different spatial dimensions, as well as the various initial conditions. In particular, we compare the performance of the overlapping domain decomposition splitting algorithm with the stochastic multi-symplectic method in [S. Jiang, L. Wang and J. Hong, Commun. Comput. Phys., 2013] and the finite difference splitting scheme in [J. Cui, J. Hong, Z. Liu and W. Zhou, J. Differ. Equ., 2019]. We observe that our proposed algorithm has excellent computational efficiency and is highly competitive. It provides a useful tool for solving stochastic partial differential equations.

The goal of explainable Artificial Intelligence (XAI) is to generate human-interpretable explanations, but there are no computationally precise theories of how humans interpret AI generated explanations. The lack of theory means that validation of XAI must be done empirically, on a case-by-case basis, which prevents systematic theory-building in XAI. We propose a psychological theory of how humans draw conclusions from saliency maps, the most common form of XAI explanation, which for the first time allows for precise prediction of explainee inference conditioned on explanation. Our theory posits that absent explanation humans expect the AI to make similar decisions to themselves, and that they interpret an explanation by comparison to the explanations they themselves would give. Comparison is formalized via Shepard's universal law of generalization in a similarity space, a classic theory from cognitive science. A pre-registered user study on AI image classifications with saliency map explanations demonstrate that our theory quantitatively matches participants' predictions of the AI.