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For multivariate data, tandem clustering is a well-known technique aiming to improve cluster identification through initial dimension reduction. Nevertheless, the usual approach using principal component analysis (PCA) has been criticized for focusing solely on inertia so that the first components do not necessarily retain the structure of interest for clustering. To address this limitation, a new tandem clustering approach based on invariant coordinate selection (ICS) is proposed. By jointly diagonalizing two scatter matrices, ICS is designed to find structure in the data while providing affine invariant components. Certain theoretical results have been previously derived and guarantee that under some elliptical mixture models, the group structure can be highlighted on a subset of the first and/or last components. However, ICS has garnered minimal attention within the context of clustering. Two challenges associated with ICS include choosing the pair of scatter matrices and selecting the components to retain. For effective clustering purposes, it is demonstrated that the best scatter pairs consist of one scatter matrix capturing the within-cluster structure and another capturing the global structure. For the former, local shape or pairwise scatters are of great interest, as is the minimum covariance determinant (MCD) estimator based on a carefully chosen subset size that is smaller than usual. The performance of ICS as a dimension reduction method is evaluated in terms of preserving the cluster structure in the data. In an extensive simulation study and empirical applications with benchmark data sets, various combinations of scatter matrices as well as component selection criteria are compared in situations with and without outliers. Overall, the new approach of tandem clustering with ICS shows promising results and clearly outperforms the PCA-based approach.

Several mixed-effects models for longitudinal data have been proposed to accommodate the non-linearity of late-life cognitive trajectories and assess the putative influence of covariates on it. No prior research provides a side-by-side examination of these models to offer guidance on their proper application and interpretation. In this work, we examined five statistical approaches previously used to answer research questions related to non-linear changes in cognitive aging: the linear mixed model (LMM) with a quadratic term, LMM with splines, the functional mixed model, the piecewise linear mixed model, and the sigmoidal mixed model. We first theoretically describe the models. Next, using data from two prospective cohorts with annual cognitive testing, we compared the interpretation of the models by investigating associations of education on cognitive change before death. Lastly, we performed a simulation study to empirically evaluate the models and provide practical recommendations. Except for the LMM-quadratic, the fit of all models was generally adequate to capture non-linearity of cognitive change and models were relatively robust. Although spline-based models have no interpretable nonlinearity parameters, their convergence was easier to achieve, and they allow graphical interpretation. In contrast, piecewise and sigmoidal models, with interpretable non-linear parameters, may require more data to achieve convergence.

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.

A component-splitting method is proposed to improve convergence characteristics for implicit time integration of compressible multicomponent reactive flows. The characteristic decomposition of flux jacobian of multicomponent Navier-Stokes equations yields a large sparse eigensystem, presenting challenges of slow convergence and high computational costs for implicit methods. To addresses this issue, the component-splitting method segregates the implicit operator into two parts: one for the flow equations (density/momentum/energy) and the other for the component equations. Each part's implicit operator employs flux-vector splitting based on their respective spectral radii to achieve accelerated convergence. This approach improves the computational efficiency of implicit iteration, mitigating the quadratic increase in time cost with the number of species. Two consistence corrections are developed to reduce the introduced component-splitting error and ensure the numerical consistency of mass fraction. Importantly, the impact of component-splitting method on accuracy is minimal as the residual approaches convergence. The accuracy, efficiency, and robustness of component-splitting method are thoroughly investigated and compared with the coupled implicit scheme through several numerical cases involving thermo-chemical nonequilibrium hypersonic flows. The results demonstrate that the component-splitting method decreases the required number of iteration steps for convergence of residual and wall heat flux, decreases the computation time per iteration step, and diminishes the residual to lower magnitude. The acceleration efficiency is enhanced with increases in CFL number and number of species.

Due to its reduced memory and computational demands, dynamical low-rank approximation (DLRA) has sparked significant interest in multiple research communities. A central challenge in DLRA is the development of time integrators that are robust to the curvature of the manifold of low-rank matrices. Recently, a parallel robust time integrator that permits dynamic rank adaptation and enables a fully parallel update of all low-rank factors was introduced. Despite its favorable computational efficiency, the construction as a first-order approximation to the augmented basis-update & Galerkin integrator restricts the parallel integrator's accuracy to order one. In this work, an extension to higher order is proposed by a careful basis augmentation before solving the matrix differential equations of the factorized solution. A robust error bound with an improved dependence on normal components of the vector field together with a norm preservation property up to small terms is derived. These analytic results are complemented and demonstrated through a series of numerical experiments.

Robust generalization is a major challenge in deep learning, particularly when the number of trainable parameters is very large. In general, it is very difficult to know if the network has memorized a particular set of examples or understood the underlying rule (or both). Motivated by this challenge, we study an interpretable model where generalizing representations are understood analytically, and are easily distinguishable from the memorizing ones. Namely, we consider multi-layer perceptron (MLP) and Transformer architectures trained on modular arithmetic tasks, where ($\xi \cdot 100\%$) of labels are corrupted (\emph{i.e.} some results of the modular operations in the training set are incorrect). We show that (i) it is possible for the network to memorize the corrupted labels \emph{and} achieve $100\%$ generalization at the same time; (ii) the memorizing neurons can be identified and pruned, lowering the accuracy on corrupted data and improving the accuracy on uncorrupted data; (iii) regularization methods such as weight decay, dropout and BatchNorm force the network to ignore the corrupted data during optimization, and achieve $100\%$ accuracy on the uncorrupted dataset; and (iv) the effect of these regularization methods is (``mechanistically'') interpretable: weight decay and dropout force all the neurons to learn generalizing representations, while BatchNorm de-amplifies the output of memorizing neurons and amplifies the output of the generalizing ones. Finally, we show that in the presence of regularization, the training dynamics involves two consecutive stages: first, the network undergoes \emph{grokking} dynamics reaching high train \emph{and} test accuracy; second, it unlearns the memorizing representations, where the train accuracy suddenly jumps from $100\%$ to $100 (1-\xi)\%$.

Iterated conditional expectation (ICE) g-computation is an estimation approach for addressing time-varying confounding for both longitudinal and time-to-event data. Unlike other g-computation implementations, ICE avoids the need to specify models for each time-varying covariate. For variance estimation, previous work has suggested the bootstrap. However, bootstrapping can be computationally intense and sensitive to the number of resamples used. Here, we present ICE g-computation as a set of stacked estimating equations. Therefore, the variance for the ICE g-computation estimator can be consistently estimated using the empirical sandwich variance estimator. Performance of the variance estimator was evaluated empirically with a simulation study. The proposed approach is also demonstrated with an illustrative example on the effect of cigarette smoking on the prevalence of hypertension. In the simulation study, the empirical sandwich variance estimator appropriately estimated the variance. When comparing runtimes between the sandwich variance estimator and the bootstrap for the applied example, the sandwich estimator was substantially faster, even when bootstraps were run in parallel. The empirical sandwich variance estimator is a viable option for variance estimation with ICE g-computation.

As data from monitored structures become increasingly available, the demand grows for it to be used efficiently to add value to structural operation and management. One way in which this can be achieved is to use structural response measurements to assess the usefulness of models employed to describe deterioration processes acting on a structure, as well the mechanical behavior of the latter. This is what this work aims to achieve by first, framing Structural Health Monitoring as a Bayesian model updating problem, in which the quantities of inferential interest characterize the deterioration process and/or structural state. Then, using the posterior estimates of these quantities, a decision-theoretic definition is proposed to assess the structural and/or deterioration models based on (a) their ability to explain the data and (b) their performance on downstream decision support-based tasks. The proposed framework is demonstrated on strain response data obtained from a test specimen which was subjected to three-point bending while simultaneously exposed to accelerated corrosion leading to thickness loss. Results indicate that the level of \textit{a priori} domain knowledge on the deterioration form is critical.

Camera calibration is a process of paramount importance in computer vision applications that require accurate quantitative measurements. The popular method developed by Zhang relies on the use of a large number of images of a planar grid of fiducial points captured in multiple poses. Although flexible and easy to implement, Zhang's method has some limitations. The simultaneous optimization of the entire parameter set, including the coefficients of a predefined distortion model, may result in poor distortion correction at the image boundaries or in miscalculation of the intrinsic parameters, even with a reasonably small reprojection error. Indeed, applications involving image stitching (e.g. multi-camera systems) require accurate mapping of distortion up to the outermost regions of the image. Moreover, intrinsic parameters affect the accuracy of camera pose estimation, which is fundamental for applications such as vision servoing in robot navigation and automated assembly. This paper proposes a method for estimating the complete set of calibration parameters from a single image of a planar speckle pattern covering the entire sensor. The correspondence between image points and physical points on the calibration target is obtained using Digital Image Correlation. The effective focal length and the extrinsic parameters are calculated separately after a prior evaluation of the principal point. At the end of the procedure, a dense and uniform model-free distortion map is obtained over the entire image. Synthetic data with different noise levels were used to test the feasibility of the proposed method and to compare its metrological performance with Zhang's method. Real-world tests demonstrate the potential of the developed method to reveal aspects of the image formation that are hidden by averaging over multiple images.

Activation Patching is a method of directly computing causal attributions of behavior to model components. However, applying it exhaustively requires a sweep with cost scaling linearly in the number of model components, which can be prohibitively expensive for SoTA Large Language Models (LLMs). We investigate Attribution Patching (AtP), a fast gradient-based approximation to Activation Patching and find two classes of failure modes of AtP which lead to significant false negatives. We propose a variant of AtP called AtP*, with two changes to address these failure modes while retaining scalability. We present the first systematic study of AtP and alternative methods for faster activation patching and show that AtP significantly outperforms all other investigated methods, with AtP* providing further significant improvement. Finally, we provide a method to bound the probability of remaining false negatives of AtP* estimates.