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Over the past decades, discrete dislocation dynamics simulations have been shown to reliably predict the evolution of dislocation microstructures for micrometer-sized metallic samples. Such simulations provide insight into the governing deformation mechanisms and the interplay between different physical phenomena such as dislocation reactions or cross-slip. This work is focused on a detailed analysis of the influence of the cross-slip on the evolution of dislocation systems. A tailored data mining strategy using the ``\ab*{discrete-to-continuous} framework'' allows to quantify differences and to quantitatively compare dislocation structures. We analyze the quantitative effects of the cross-slip on the microstructure in the course of a tensile test and a subsequent relaxation to present the role of cross-slip in the microstructure evolution. The precision of the extracted quantitative information using D2C strongly depends on the resolution of the domain averaging. We also analyze how the resolution of the averaging influences the distribution of total dislocation density and curvature fields of the specimen. Our analyzes are important approaches for interpreting the resulting structures calculated by dislocation dynamics simulations.

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Correlation matrix visualization is essential for understanding the relationships between variables in a dataset, but missing data can pose a significant challenge in estimating correlation coefficients. In this paper, we compare the effects of various missing data methods on the correlation plot, focusing on two common missing patterns: random and monotone. We aim to provide practical strategies and recommendations for researchers and practitioners in creating and analyzing the correlation plot. Our experimental results suggest that while imputation is commonly used for missing data, using imputed data for plotting the correlation matrix may lead to a significantly misleading inference of the relation between the features. We recommend using DPER, a direct parameter estimation approach, for plotting the correlation matrix based on its performance in the experiments.

Stein's method for Gaussian process approximation can be used to bound the differences between the expectations of smooth functionals $h$ of a c\`adl\`ag random process $X$ of interest and the expectations of the same functionals of a well understood target random process $Z$ with continuous paths. Unfortunately, the class of smooth functionals for which this is easily possible is very restricted. Here, we prove an infinite dimensional Gaussian smoothing inequality, which enables the class of functionals to be greatly expanded -- examples are Lipschitz functionals with respect to the uniform metric, and indicators of arbitrary events -- in exchange for a loss of precision in the bounds. Our inequalities are expressed in terms of the smooth test function bound, an expectation of a functional of $X$ that is closely related to classical tightness criteria, a similar expectation for $Z$, and, for the indicator of a set $K$, the probability $\mathbb{P}(Z \in K^\theta \setminus K^{-\theta})$ that the target process is close to the boundary of $K$.

We present a scalable strategy for development of mesh-free hybrid neuro-symbolic partial differential equation solvers based on existing mesh-based numerical discretization methods. Particularly, this strategy can be used to efficiently train neural network surrogate models of partial differential equations by (i) leveraging the accuracy and convergence properties of advanced numerical methods, solvers, and preconditioners, as well as (ii) better scalability to higher order PDEs by strictly limiting optimization to first order automatic differentiation. The presented neural bootstrapping method (hereby dubbed NBM) is based on evaluation of the finite discretization residuals of the PDE system obtained on implicit Cartesian cells centered on a set of random collocation points with respect to trainable parameters of the neural network. Importantly, the conservation laws and symmetries present in the bootstrapped finite discretization equations inform the neural network about solution regularities within local neighborhoods of training points. We apply NBM to the important class of elliptic problems with jump conditions across irregular interfaces in three spatial dimensions. We show the method is convergent such that model accuracy improves by increasing number of collocation points in the domain and predonditioning the residuals. We show NBM is competitive in terms of memory and training speed with other PINN-type frameworks. The algorithms presented here are implemented using \texttt{JAX} in a software package named \texttt{JAX-DIPS} (//github.com/JAX-DIPS/JAX-DIPS), standing for differentiable interfacial PDE solver. We open sourced \texttt{JAX-DIPS} to facilitate research into use of differentiable algorithms for developing hybrid PDE solvers.

Language change is influenced by many factors, but often starts from synchronic variation, where multiple linguistic patterns or forms coexist, or where different speech communities use language in increasingly different ways. Besides regional or economic reasons, communities may form and segregate based on political alignment. The latter, referred to as political polarization, is of growing societal concern across the world. Here we map and quantify linguistic divergence across the partisan left-right divide in the United States, using social media data. We develop a general methodology to delineate (social) media users by their political preference, based on which (potentially biased) news media accounts they do and do not follow on a given platform. Our data consists of 1.5M short posts by 10k users (about 20M words) from the social media platform Twitter (now "X"). Delineating this sample involved mining the platform for the lists of followers (n=422M) of 72 large news media accounts. We quantify divergence in topics of conversation and word frequencies, messaging sentiment, and lexical semantics of words and emoji. We find signs of linguistic divergence across all these aspects, especially in topics and themes of conversation, in line with previous research. While US American English remains largely intelligible within its large speech community, our findings point at areas where miscommunication may eventually arise given ongoing polarization and therefore potential linguistic divergence. Our methodology - combining data mining, lexicostatistics, machine learning, large language models and a systematic human annotation approach - is largely language and platform agnostic. In other words, while we focus here on US political divides and US English, the same approach is applicable to other countries, languages, and social media platforms.

Binary responses arise in a multitude of statistical problems, including binary classification, bioassay, current status data problems and sensitivity estimation. There has been an interest in such problems in the Bayesian nonparametrics community since the early 1970s, but inference given binary data is intractable for a wide range of modern simulation-based models, even when employing MCMC methods. Recently, Christensen (2023) introduced a novel simulation technique based on counting permutations, which can estimate both posterior distributions and marginal likelihoods for any model from which a random sample can be generated. However, the accompanying implementation of this technique struggles when the sample size is too large (n > 250). Here we present perms, a new implementation of said technique which is substantially faster and able to handle larger data problems than the original implementation. It is available both as an R package and a Python library. The basic usage of perms is illustrated via two simple examples: a tractable toy problem and a bioassay problem. A more complex example involving changepoint analysis is also considered. We also cover the details of the implementation and illustrate the computational speed gain of perms via a simple simulation study.

Residual neural networks are state-of-the-art deep learning models. Their continuous-depth analog, neural ordinary differential equations (ODEs), are also widely used. Despite their success, the link between the discrete and continuous models still lacks a solid mathematical foundation. In this article, we take a step in this direction by establishing an implicit regularization of deep residual networks towards neural ODEs, for nonlinear networks trained with gradient flow. We prove that if the network is initialized as a discretization of a neural ODE, then such a discretization holds throughout training. Our results are valid for a finite training time, and also as the training time tends to infinity provided that the network satisfies a Polyak-Lojasiewicz condition. Importantly, this condition holds for a family of residual networks where the residuals are two-layer perceptrons with an overparameterization in width that is only linear, and implies the convergence of gradient flow to a global minimum. Numerical experiments illustrate our results.

Many researchers have identified distribution shift as a likely contributor to the reproducibility crisis in behavioral and biomedical sciences. The idea is that if treatment effects vary across individual characteristics and experimental contexts, then studies conducted in different populations will estimate different average effects. This paper uses ``generalizability" methods to quantify how much of the effect size discrepancy between an original study and its replication can be explained by distribution shift on observed unit-level characteristics. More specifically, we decompose this discrepancy into ``components" attributable to sampling variability (including publication bias), observable distribution shifts, and residual factors. We compute this decomposition for several directly-replicated behavioral science experiments and find little evidence that observable distribution shifts contribute appreciably to non-replicability. In some cases, this is because there is too much statistical noise. In other cases, there is strong evidence that controlling for additional moderators is necessary for reliable replication.

Hawkes processes are often applied to model dependence and interaction phenomena in multivariate event data sets, such as neuronal spike trains, social interactions, and financial transactions. In the nonparametric setting, learning the temporal dependence structure of Hawkes processes is generally a computationally expensive task, all the more with Bayesian estimation methods. In particular, for generalised nonlinear Hawkes processes, Monte-Carlo Markov Chain methods applied to compute the doubly intractable posterior distribution are not scalable to high-dimensional processes in practice. Recently, efficient algorithms targeting a mean-field variational approximation of the posterior distribution have been proposed. In this work, we first unify existing variational Bayes approaches under a general nonparametric inference framework, and analyse the asymptotic properties of these methods under easily verifiable conditions on the prior, the variational class, and the nonlinear model. Secondly, we propose a novel sparsity-inducing procedure, and derive an adaptive mean-field variational algorithm for the popular sigmoid Hawkes processes. Our algorithm is parallelisable and therefore computationally efficient in high-dimensional setting. Through an extensive set of numerical simulations, we also demonstrate that our procedure is able to adapt to the dimensionality of the parameter of the Hawkes process, and is partially robust to some type of model mis-specification.

Artificial neural networks thrive in solving the classification problem for a particular rigid task, acquiring knowledge through generalized learning behaviour from a distinct training phase. The resulting network resembles a static entity of knowledge, with endeavours to extend this knowledge without targeting the original task resulting in a catastrophic forgetting. Continual learning shifts this paradigm towards networks that can continually accumulate knowledge over different tasks without the need to retrain from scratch. We focus on task incremental classification, where tasks arrive sequentially and are delineated by clear boundaries. Our main contributions concern 1) a taxonomy and extensive overview of the state-of-the-art, 2) a novel framework to continually determine the stability-plasticity trade-off of the continual learner, 3) a comprehensive experimental comparison of 11 state-of-the-art continual learning methods and 4 baselines. We empirically scrutinize method strengths and weaknesses on three benchmarks, considering Tiny Imagenet and large-scale unbalanced iNaturalist and a sequence of recognition datasets. We study the influence of model capacity, weight decay and dropout regularization, and the order in which the tasks are presented, and qualitatively compare methods in terms of required memory, computation time, and storage.

Graph representation learning for hypergraphs can be used to extract patterns among higher-order interactions that are critically important in many real world problems. Current approaches designed for hypergraphs, however, are unable to handle different types of hypergraphs and are typically not generic for various learning tasks. Indeed, models that can predict variable-sized heterogeneous hyperedges have not been available. Here we develop a new self-attention based graph neural network called Hyper-SAGNN applicable to homogeneous and heterogeneous hypergraphs with variable hyperedge sizes. We perform extensive evaluations on multiple datasets, including four benchmark network datasets and two single-cell Hi-C datasets in genomics. We demonstrate that Hyper-SAGNN significantly outperforms the state-of-the-art methods on traditional tasks while also achieving great performance on a new task called outsider identification. Hyper-SAGNN will be useful for graph representation learning to uncover complex higher-order interactions in different applications.

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