Mesh-based Graph Neural Networks (GNNs) have recently shown capabilities to simulate complex multiphysics problems with accelerated performance times. However, mesh-based GNNs require a large number of message-passing (MP) steps and suffer from over-smoothing for problems involving very fine mesh. In this work, we develop a multiscale mesh-based GNN framework mimicking a conventional iterative multigrid solver, coupled with adaptive mesh refinement (AMR), to mitigate challenges with conventional mesh-based GNNs. We use the framework to accelerate phase field (PF) fracture problems involving coupled partial differential equations with a near-singular operator due to near-zero modulus inside the crack. We define the initial graph representation using all mesh resolution levels. We perform a series of downsampling steps using Transformer MP GNNs to reach the coarsest graph followed by upsampling steps to reach the original graph. We use skip connectors from the generated embedding during coarsening to prevent over-smoothing. We use Transfer Learning (TL) to significantly reduce the size of training datasets needed to simulate different crack configurations and loading conditions. The trained framework showed accelerated simulation times, while maintaining high accuracy for all cases compared to physics-based PF fracture model. Finally, this work provides a new approach to accelerate a variety of mesh-based engineering multiphysics problems
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The collective schedules problem consists in computing a schedule of tasks shared between individuals. Tasks may have different duration, and individuals have preferences over the order of the shared tasks. This problem has numerous applications since tasks may model public infrastructure projects, events taking place in a shared room, or work done by co-workers. Our aim is, given the preferred schedules of individuals (voters), to return a consensus schedule. We propose an axiomatic study of the collective schedule problem, by using classic axioms in computational social choice and new axioms that take into account the duration of the tasks. We show that some axioms are incompatible, and we study the axioms fulfilled by three rules: one which has been studied in the seminal paper on collective schedules (Pascual et al. 2018), one which generalizes the Kemeny rule, and one which generalizes Spearman's footrule. From an algorithmic point of view, we show that these rules solve NP-hard problems, but that it is possible to solve optimally these problems for small but realistic size instances, and we give an efficient heuristic for large instances. We conclude this paper with experiments.
Simulated events are key ingredients in almost all high-energy physics analyses. However, imperfections in the simulation can lead to sizeable differences between the observed data and simulated events. The effects of such mismodelling on relevant observables must be corrected either effectively via scale factors, with weights or by modifying the distributions of the observables and their correlations. We introduce a correction method that transforms one multidimensional distribution (simulation) into another one (data) using a simple architecture based on a single normalising flow with a boolean condition. We demonstrate the effectiveness of the method on a physics-inspired toy dataset with non-trivial mismodelling of several observables and their correlations.
We propose a new neural network based large eddy simulation framework for the incompressible Navier-Stokes equations based on the paradigm "discretize first, filter and close next". This leads to full model-data consistency and allows for employing neural closure models in the same environment as where they have been trained. Since the LES discretization error is included in the learning process, the closure models can learn to account for the discretization. Furthermore, we introduce a new divergence-consistent discrete filter defined through face-averaging. The new filter preserves the discrete divergence-free constraint by construction, unlike general discrete filters such as volume-averaging filters. We show that using a divergence-consistent LES formulation coupled with a convolutional neural closure model produces stable and accurate results for both a-priori and a-posteriori training, while a general (divergence-inconsistent) LES model requires a-posteriori training or other stability-enforcing measures.
This paper presents a Bayesian regression model relating scalar outcomes to brain functional connectivity represented as symmetric positive definite (SPD) matrices. Unlike many proposals that simply vectorize the matrix-valued connectivity predictors thereby ignoring their geometric structure, the method presented here respects the Riemannian geometry of SPD matrices by using a tangent space modeling. Dimension reduction is performed in the tangent space, relating the resulting low-dimensional representations to the responses. The dimension reduction matrix is learned in a supervised manner with a sparsity-inducing prior imposed on a Stiefel manifold to prevent overfitting. Our method yields a parsimonious regression model that allows uncertainty quantification of all model parameters and identification of key brain regions that predict the outcomes. We demonstrate the performance of our approach in simulation settings and through a case study to predict Picture Vocabulary scores using data from the Human Connectome Project.
The multiscale hybrid-mixed (MHM) method consists of a multi-level strategy to approximate the solution of boundary value problems with heterogeneous coefficients. In this context, we propose a family of low-order finite elements for the linear elasticity problem which are free from Poisson locking. The finite elements rely on face degrees of freedom associated with multiscale bases obtained from local Neumann problems with piecewise polynomial interpolations on faces. We establish sufficient refinement levels on the fine-scale mesh such that the MHM method is well-posed, optimally convergent under local regularity conditions, and locking-free. Two-dimensional numerical tests assess theoretical results.
Fully explicit stabilized multirate (mRKC) methods are well-suited for the numerical solution of large multiscale systems of stiff ordinary differential equations thanks to their improved stability properties. To demonstrate their efficiency for the numerical solution of stiff, multiscale, nonlinear parabolic PDE's, we apply mRKC methods to the monodomain equation from cardiac electrophysiology. In doing so, we propose an improved version, specifically tailored to the monodomain model, which leads to the explicit exponential multirate stabilized (emRKC) method. Several numerical experiments are conducted to evaluate the efficiency of both mRKC and emRKC, while taking into account different finite element meshes (structured and unstructured) and realistic ionic models. The new emRKC method typically outperforms a standard implicit-explicit baseline method for cardiac electrophysiology. Code profiling and strong scalability results further demonstrate that emRKC is faster and inherently parallel without sacrificing accuracy.
We introduce data structures and algorithms to count numerical inaccuracies arising from usage of floating numbers described in IEEE 754. Here we describe how to estimate precision for some collection of functions most commonly used for array manipulations and training of neural networks. For highly optimized functions like matrix multiplication, we provide a fast estimation of precision and some hint how the estimation can be strengthened.
The importance of considering contextual probabilities in shaping response patterns within psychological testing is underscored, despite the ubiquitous nature of order effects discussed extensively in methodological literature. Drawing from concepts such as path-dependency, first-order autocorrelation, state-dependency, and hysteresis, the present study is an attempt to address how earlier responses serve as an anchor for subsequent answers in tests, surveys, and questionnaires. Introducing the notion of non-commuting observables derived from quantum physics, I highlight their role in characterizing psychological processes and the impact of measurement instruments on participants' responses. We advocate for the utilization of first-order Markov chain modeling to capture and forecast sequential dependencies in survey and test responses. The employment of the first-order Markov chain model lies in individuals' propensity to exhibit partial focus to preceding responses, with recent items most likely exerting a substantial influence on subsequent response selection. This study contributes to advancing our understanding of the dynamics inherent in sequential data within psychological research and provides a methodological framework for conducting longitudinal analyses of response patterns of test and questionnaire.
We propose a method for obtaining parsimonious decompositions of networks into higher order interactions which can take the form of arbitrary motifs.The method is based on a class of analytically solvable generative models, where vertices are connected via explicit copies of motifs, which in combination with non-parametric priors allow us to infer higher order interactions from dyadic graph data without any prior knowledge on the types or frequencies of such interactions. Crucially, we also consider 'degree--corrected' models that correctly reflect the degree distribution of the network and consequently prove to be a better fit for many real world--networks compared to non-degree corrected models. We test the presented approach on simulated data for which we recover the set of underlying higher order interactions to a high degree of accuracy. For empirical networks the method identifies concise sets of atomic subgraphs from within thousands of candidates that cover a large fraction of edges and include higher order interactions of known structural and functional significance. The method not only produces an explicit higher order representation of the network but also a fit of the network to analytically tractable models opening new avenues for the systematic study of higher order network structures.
Decision making and learning in the presence of uncertainty has attracted significant attention in view of the increasing need to achieve robust and reliable operations. In the case where uncertainty stems from the presence of adversarial attacks this need is becoming more prominent. In this paper we focus on linear and nonlinear classification problems and propose a novel adversarial training method for robust classifiers, inspired by Support Vector Machine (SVM) margins. We view robustness under a data driven lens, and derive finite sample complexity bounds for both linear and non-linear classifiers in binary and multi-class scenarios. Notably, our bounds match natural classifiers' complexity. Our algorithm minimizes a worst-case surrogate loss using Linear Programming (LP) and Second Order Cone Programming (SOCP) for linear and non-linear models. Numerical experiments on the benchmark MNIST and CIFAR10 datasets show our approach's comparable performance to state-of-the-art methods, without needing adversarial examples during training. Our work offers a comprehensive framework for enhancing binary linear and non-linear classifier robustness, embedding robustness in learning under the presence of adversaries.
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