Image Quality of MRI brain scans is strongly influenced by within scanner head movements and the resulting image artifacts alter derived measures like brain volume and cortical thickness. Automated image quality assessment is key to controlling for confounding effects of poor image quality. In this study, we systematically test for the influence of image quality on univariate statistics and machine learning classification. We analyzed group effects of sex/gender on local brain volume and made predictions of sex/gender using logistic regression, while correcting for brain size. From three large publicly available datasets, two age and sex-balanced samples were derived to test the generalizability of the effect for pooled sample sizes of n=760 and n=1094. Results of the Bonferroni corrected t-tests over 3747 gray matter features showed a strong influence of low-quality data on the ability to find significant sex/gender differences for the smaller sample. Increasing sample size and more so image quality showed a stark increase in detecting significant effects in univariate group comparisons. For the classification of sex/gender using logistic regression, both increasing sample size and image quality had a marginal effect on the Area under the Receiver Operating Characteristic Curve for most datasets and subsamples. Our results suggest a more stringent quality control for univariate approaches than for multivariate classification with a leaning towards higher quality for classical group statistics and bigger sample sizes for machine learning applications in neuroimaging.
This paper addresses the inverse scattering problem for Maxwell's equations. We first show that a bianisotropic scatterer can be uniquely determined from multi-static far-field data through the factorization analysis of the far-field operator. Next, we investigate a modified version of the orthogonality sampling method, as proposed in \cite{Le2022}, for the numerical reconstruction of the scatterer. Finally, we apply this sampling method to invert unprocessed 3D experimental data obtained from the Fresnel Institute \cite{Geffrin2009}. Numerical examples with synthetic scattering data for bianisotropic targets are also presented to demonstrate the effectiveness of the method.
A discrete spatial lattice can be cast as a network structure over which spatially-correlated outcomes are observed. A second network structure may also capture similarities among measured features, when such information is available. Incorporating the network structures when analyzing such doubly-structured data can improve predictive power, and lead to better identification of important features in the data-generating process. Motivated by applications in spatial disease mapping, we develop a new doubly regularized regression framework to incorporate these network structures for analyzing high-dimensional datasets. Our estimators can be easily implemented with standard convex optimization algorithms. In addition, we describe a procedure to obtain asymptotically valid confidence intervals and hypothesis tests for our model parameters. We show empirically that our framework provides improved predictive accuracy and inferential power compared to existing high-dimensional spatial methods. These advantages hold given fully accurate network information, and also with networks which are partially misspecified or uninformative. The application of the proposed method to modeling COVID-19 mortality data suggests that it can improve prediction of deaths beyond standard spatial models, and that it selects relevant covariates more often.
In this paper, we focus on efficiently and flexibly simulating the Fokker-Planck equation associated with the Nonlinear Noisy Leaky Integrate-and-Fire (NNLIF) model, which reflects the dynamic behavior of neuron networks. We apply the Galerkin spectral method to discretize the spatial domain by constructing a variational formulation that satisfies complex boundary conditions. Moreover, the boundary conditions in the variational formulation include only zeroth-order terms, with first-order conditions being naturally incorporated. This allows the numerical scheme to be further extended to an excitatory-inhibitory population model with synaptic delays and refractory states. Additionally, we establish the consistency of the numerical scheme. Experimental results, including accuracy tests, blow-up events, and periodic oscillations, validate the properties of our proposed method.
This paper presents an innovative method for predicting shape errors in 5-axis machining using graph neural networks. The graph structure is defined with nodes representing workpiece surface points and edges denoting the neighboring relationships. The dataset encompasses data from a material removal simulation, process data, and post-machining quality information. Experimental results show that the presented approach can generalize the shape error prediction for the investigated workpiece geometry. Moreover, by modelling spatial and temporal connections within the workpiece, the approach handles a low number of labels compared to non-graphical methods such as Support Vector Machines.
Uplift modeling and Heterogeneous Treatment Effect (HTE) estimation aim at predicting the causal effect of an action, such as a medical treatment or a marketing campaign on a specific individual. In this paper, we focus on data from Randomized Controlled Experiments which guarantee causal interpretation of the outcomes. Class and treatment imbalance are important problems in uplift modeling/HTE, but classical undersampling or oversampling based approaches are hard to apply in this case since they distort the predicted effect. Calibration methods have been proposed in the past, however, they do not guarantee correct predictions. In this work, we propose an approach alternative to undersampling, based on flipping the class value of selected records. We show that the proposed approach does not distort the predicted effect and does not require calibration. The method is especially useful for models based on class variable transformation (modified outcome models). We address those models separately, designing a transformation scheme which guarantees correct predictions and addresses also the problem of treatment imbalance which is especially important for those models. Experiments fully confirm our theoretical results. Additionally, we demonstrate that our method is a viable alternative also for standard classification problems.
We examine the last-iterate convergence rate of Bregman proximal methods - from mirror descent to mirror-prox and its optimistic variants - as a function of the local geometry induced by the prox-mapping defining the method. For generality, we focus on local solutions of constrained, non-monotone variational inequalities, and we show that the convergence rate of a given method depends sharply on its associated Legendre exponent, a notion that measures the growth rate of the underlying Bregman function (Euclidean, entropic, or other) near a solution. In particular, we show that boundary solutions exhibit a stark separation of regimes between methods with a zero and non-zero Legendre exponent: the former converge at a linear rate, while the latter converge, in general, sublinearly. This dichotomy becomes even more pronounced in linearly constrained problems where methods with entropic regularization achieve a linear convergence rate along sharp directions, compared to convergence in a finite number of steps under Euclidean regularization.
We study the problem of testing whether the missing values of a potentially high-dimensional dataset are Missing Completely at Random (MCAR). We relax the problem of testing MCAR to the problem of testing the compatibility of a collection of covariance matrices, motivated by the fact that this procedure is feasible when the dimension grows with the sample size. Our first contributions are to define a natural measure of the incompatibility of a collection of correlation matrices, which can be characterised as the optimal value of a Semi-definite Programming (SDP) problem, and to establish a key duality result allowing its practical computation and interpretation. By analysing the concentration properties of the natural plug-in estimator for this measure, we propose a novel hypothesis test, which is calibrated via a bootstrap procedure and demonstrates power against any distribution with incompatible covariance matrices. By considering key examples of missingness structures, we demonstrate that our procedures are minimax rate optimal in certain cases. We further validate our methodology with numerical simulations that provide evidence of validity and power, even when data are heavy tailed. Furthermore, tests of compatibility can be used to test the feasibility of positive semi-definite matrix completion problems with noisy observations, and thus our results may be of independent interest.
The digital twin approach has gained recognition as a promising solution to the challenges faced by the Architecture, Engineering, Construction, Operations, and Management (AECOM) industries. However, its broader application across AECOM sectors remains limited. One significant obstacle is that traditional digital twins rely on deterministic models, which require deterministic input parameters. This limits their accuracy, as they do not account for the substantial uncertainties inherent in AECOM projects. These uncertainties are particularly pronounced in geotechnical design and construction. To address this challenge, we propose a Probabilistic Digital Twin (PDT) framework that extends traditional digital twin methodologies by incorporating uncertainties, and is tailored to the requirements of geotechnical design and construction. The PDT framework provides a structured approach to integrating all sources of uncertainty, including aleatoric, data, model, and prediction uncertainties, and propagates them throughout the entire modeling process. To ensure that site-specific conditions are accurately reflected as additional information is obtained, the PDT leverages Bayesian methods for model updating. The effectiveness of the probabilistic digital twin framework is showcased through an application to a highway foundation construction project, demonstrating its potential to improve decision-making and project outcomes in the face of significant uncertainties.
Graph-based representations for samples of computational mechanics-related datasets can prove instrumental when dealing with problems like irregular domains or molecular structures of materials, etc. To effectively analyze and process such datasets, deep learning offers Graph Neural Networks (GNNs) that utilize techniques like message-passing within their architecture. The issue, however, is that as the individual graph scales and/ or GNN architecture becomes increasingly complex, the increased energy budget of the overall deep learning model makes it unsustainable and restricts its applications in applications like edge computing. To overcome this, we propose in this paper Hybrid Variable Spiking Graph Neural Networks (HVS-GNNs) that utilize Variable Spiking Neurons (VSNs) within their architecture to promote sparse communication and hence reduce the overall energy budget. VSNs, while promoting sparse event-driven computations, also perform well for regression tasks, which are often encountered in computational mechanics applications and are the main target of this paper. Three examples dealing with prediction of mechanical properties of material based on microscale/ mesoscale structures are shown to test the performance of the proposed HVS-GNNs in regression tasks. We have also compared the performance of HVS-GNN architectures with the performance of vanilla GNNs and GNNs utilizing leaky integrate and fire neurons. The results produced show that HVS-GNNs perform well for regression tasks, all while promoting sparse communication and, hence, energy efficiency.
We extend the shifted boundary method (SBM) to the simulation of incompressible fluid flow using immersed octree meshes. Previous work on SBM for fluid flow primarily utilized two- or three-dimensional unstructured tetrahedral grids. Recently, octree grids have become an essential component of immersed CFD solvers, and this work addresses this gap and the associated computational challenges. We leverage an optimal (approximate) surrogate boundary constructed efficiently on incomplete and adaptive octree meshes. The resulting framework enables the simulation of the incompressible Navier-Stokes equations in complex geometries without requiring boundary-fitted grids. Simulations of benchmark tests in two and three dimensions demonstrate that the Octree-SBM framework is a robust, accurate, and efficient approach to simulating fluid dynamics problems with complex geometries.