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Suitable discretizations through tensor product formulas of popular multidimensional operators (diffusion--advection, for instance) lead to matrices with $d$-dimensional Kronecker sum structure. For evolutionary PDEs containing such operators and integrated in time with exponential integrators, it is of paramount importance to efficiently approximate actions of $\varphi$-functions of this kind of matrices. In this work, we show how to produce directional split approximations of third order with respect to the time step size. They conveniently employ tensor-matrix products (realized with highly performance level 3 BLAS) and that allow for the effective usage in practice of exponential integrators up to order three. The approach has been successfully tested against state-of-the-art techniques on two well-known physical models, namely FitzHugh--Nagumo and Schnakenberg.

Signal detection is one of the main challenges of data science. As it often happens in data analysis, the signal in the data may be corrupted by noise. There is a wide range of techniques aimed at extracting the relevant degrees of freedom from data. However, some problems remain difficult. It is notably the case of signal detection in almost continuous spectra when the signal-to-noise ratio is small enough. This paper follows a recent bibliographic line which tackles this issue with field-theoretical methods. Previous analysis focused on equilibrium Boltzmann distributions for some effective field representing the degrees of freedom of data. It was possible to establish a relation between signal detection and $\mathbb{Z}_2$-symmetry breaking. In this paper, we consider a stochastic field framework inspiring by the so-called "Model A", and show that the ability to reach or not an equilibrium state is correlated with the shape of the dataset. In particular, studying the renormalization group of the model, we show that the weak ergodicity prescription is always broken for signals small enough, when the data distribution is close to the Marchenko-Pastur (MP) law. This, in particular, enables the definition of a detection threshold in the regime where the signal-to-noise ratio is small enough.

G-formula is a popular approach for estimating treatment or exposure effects from longitudinal data that are subject to time-varying confounding. G-formula estimation is typically performed by Monte-Carlo simulation, with non-parametric bootstrapping used for inference. We show that G-formula can be implemented by exploiting existing methods for multiple imputation (MI) for synthetic data. This involves using an existing modified version of Rubin's variance estimator. In practice missing data is ubiquitous in longitudinal datasets. We show that such missing data can be readily accommodated as part of the MI procedure when using G-formula, and describe how MI software can be used to implement the approach. We explore its performance using a simulation study and an application from cystic fibrosis.

We consider several basic questions on distributed routing in directed graphs with multiple additive costs, or metrics, and multiple constraints. Distributed routing in this sense is used in several protocols, such as IS-IS and OSPF. A practical approach to the multi-constraint routing problem is to, first, combine the metrics into a single `composite' metric, and then apply one-to-all shortest path algorithms, e.g. Dijkstra, in order to find shortest path trees. We show that, in general, even if a feasible path exists and is known for every source and destination pair, it is impossible to guarantee a distributed routing under several constraints. We also study the question of choosing the optimal `composite' metric. We show that under certain mathematical assumptions we can efficiently find a convex combination of several metrics that maximizes the number of discovered feasible paths. Sometimes it can be done analytically, and is in general possible using what we call a 'smart iterative approach'. We illustrate these findings by extensive experiments on several typical network topologies.

Artificial neural networks are prone to being fooled by carefully perturbed inputs which cause an egregious misclassification. These \textit{adversarial} attacks have been the focus of extensive research. Likewise, there has been an abundance of research in ways to detect and defend against them. We introduce a novel approach of detection and interpretation of adversarial attacks from a graph perspective. For an input image, we compute an associated sparse graph using the layer-wise relevance propagation algorithm \cite{bach15}. Specifically, we only keep edges of the neural network with the highest relevance values. Three quantities are then computed from the graph which are then compared against those computed from the training set. The result of the comparison is a classification of the image as benign or adversarial. To make the comparison, two classification methods are introduced: 1) an explicit formula based on Wasserstein distance applied to the degree of node and 2) a logistic regression. Both classification methods produce strong results which lead us to believe that a graph-based interpretation of adversarial attacks is valuable.

A physics-informed convolutional neural network is proposed to simulate two phase flow in porous media with time-varying well controls. While most of PICNNs in existing literatures worked on parameter-to-state mapping, our proposed network parameterizes the solution with time-varying controls to establish a control-to-state regression. Firstly, finite volume scheme is adopted to discretize flow equations and formulate loss function that respects mass conservation laws. Neumann boundary conditions are seamlessly incorporated into the semi-discretized equations so no additional loss term is needed. The network architecture comprises two parallel U-Net structures, with network inputs being well controls and outputs being the system states. To capture the time-dependent relationship between inputs and outputs, the network is well designed to mimic discretized state space equations. We train the network progressively for every timestep, enabling it to simultaneously predict oil pressure and water saturation at each timestep. After training the network for one timestep, we leverage transfer learning techniques to expedite the training process for subsequent timestep. The proposed model is used to simulate oil-water porous flow scenarios with varying reservoir gridblocks and aspects including computation efficiency and accuracy are compared against corresponding numerical approaches. The results underscore the potential of PICNN in effectively simulating systems with numerous grid blocks, as computation time does not scale with model dimensionality. We assess the temporal error using 10 different testing controls with variation in magnitude and another 10 with higher alternation frequency with proposed control-to-state architecture. Our observations suggest the need for a more robust and reliable model when dealing with controls that exhibit significant variations in magnitude or frequency.

In clinical trials of longitudinal continuous outcomes, reference based imputation (RBI) has commonly been applied to handle missing outcome data in settings where the estimand incorporates the effects of intercurrent events, e.g. treatment discontinuation. RBI was originally developed in the multiple imputation framework, however recently conditional mean imputation (CMI) combined with the jackknife estimator of the standard error was proposed as a way to obtain deterministic treatment effect estimates and correct frequentist inference. For both multiple and CMI, a mixed model for repeated measures (MMRM) is often used for the imputation model, but this can be computationally intensive to fit to multiple data sets (e.g. the jackknife samples) and lead to convergence issues with complex MMRM models with many parameters. Therefore, a step-wise approach based on sequential linear regression (SLR) of the outcomes at each visit was developed for the imputation model in the multiple imputation framework, but similar developments in the CMI framework are lacking. In this article, we fill this gap in the literature by proposing a SLR approach to implement RBI in the CMI framework, and justify its validity using theoretical results and simulations. We also illustrate our proposal on a real data application.

Biclustering is widely used in different kinds of fields including gene information analysis, text mining, and recommendation system by effectively discovering the local correlation between samples and features. However, many biclustering algorithms will collapse when facing heavy-tailed data. In this paper, we propose a robust version of convex biclustering algorithm with Huber loss. Yet, the newly introduced robustification parameter brings an extra burden to selecting the optimal parameters. Therefore, we propose a tuning-free method for automatically selecting the optimal robustification parameter with high efficiency. The simulation study demonstrates the more fabulous performance of our proposed method than traditional biclustering methods when encountering heavy-tailed noise. A real-life biomedical application is also presented. The R package RcvxBiclustr is available at //github.com/YifanChen3/RcvxBiclustr.

We present a multigrid algorithm to solve efficiently the large saddle-point systems of equations that typically arise in PDE-constrained optimization under uncertainty. The algorithm is based on a collective smoother that at each iteration sweeps over the nodes of the computational mesh, and solves a reduced saddle-point system whose size depends on the number $N$ of samples used to discretized the probability space. We show that this reduced system can be solved with optimal $O(N)$ complexity. We test the multigrid method on three problems: a linear-quadratic problem, possibly with a local or a boundary control, for which the multigrid method is used to solve directly the linear optimality system; a nonsmooth problem with box constraints and $L^1$-norm penalization on the control, in which the multigrid scheme is used within a semismooth Newton iteration; a risk-adverse problem with the smoothed CVaR risk measure where the multigrid method is called within a preconditioned Newton iteration. In all cases, the multigrid algorithm exhibits excellent performances and robustness with respect to the parameters of interest.

The emergence of complex structures in the systems governed by a simple set of rules is among the most fascinating aspects of Nature. The particularly powerful and versatile model suitable for investigating this phenomenon is provided by cellular automata, with the Game of Life being one of the most prominent examples. However, this simplified model can be too limiting in providing a tool for modelling real systems. To address this, we introduce and study an extended version of the Game of Life, with the dynamical process governing the rule selection at each step. We show that the introduced modification significantly alters the behaviour of the game. We also demonstrate that the choice of the synchronization policy can be used to control the trade-off between the stability and the growth in the system.