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This work focuses on the analysis of fully connected feed forward ReLU neural networks as they approximate a given, smooth function. In contrast to conventionally studied universal approximation properties under increasing architectures, e.g., in terms of width or depth of the networks, we are concerned with the asymptotic growth of the parameters of approximating networks. Such results are of interest, e.g., for error analysis or consistency results for neural network training. The main result of our work is that, for a ReLU architecture with state of the art approximation error, the realizing parameters grow at most polynomially. The obtained rate with respect to a normalized network size is compared to existing results and is shown to be superior in most cases, in particular for high dimensional input.

Stress and material deformation field predictions are among the most important tasks in computational mechanics. These predictions are typically made by solving the governing equations of continuum mechanics using finite element analysis, which can become computationally prohibitive considering complex microstructures and material behaviors. Machine learning (ML) methods offer potentially cost effective surrogates for these applications. However, existing ML surrogates are either limited to low-dimensional problems and/or do not provide uncertainty estimates in the predictions. This work proposes an ML surrogate framework for stress field prediction and uncertainty quantification for diverse materials microstructures. A modified Bayesian U-net architecture is employed to provide a data-driven image-to-image mapping from initial microstructure to stress field with prediction (epistemic) uncertainty estimates. The Bayesian posterior distributions for the U-net parameters are estimated using three state-of-the-art inference algorithms: the posterior sampling-based Hamiltonian Monte Carlo method and two variational approaches, the Monte-Carlo Dropout method and the Bayes by Backprop algorithm. A systematic comparison of the predictive accuracy and uncertainty estimates for these methods is performed for a fiber reinforced composite material and polycrystalline microstructure application. It is shown that the proposed methods yield predictions of high accuracy compared to the FEA solution, while uncertainty estimates depend on the inference approach. Generally, the Hamiltonian Monte Carlo and Bayes by Backprop methods provide consistent uncertainty estimates. Uncertainty estimates from Monte Carlo Dropout, on the other hand, are more difficult to interpret and depend strongly on the method's design.

Polyhazard models are a class of flexible parametric models for modelling survival over extended time horizons. Their additive hazard structure allows for flexible, non-proportional hazards whose characteristics can change over time while retaining a parametric form, which allows for survival to be extrapolated beyond the observation period of a study. Significant user input is required, however, in selecting the number of latent hazards to model, their distributions and the choice of which variables to associate with each hazard. The resulting set of models is too large to explore manually, limiting their practical usefulness. Motivated by applications to stroke survivor and kidney transplant patient survival times we extend the standard polyhazard model through a prior structure allowing for joint inference of parameters and structural quantities, and develop a sampling scheme that utilises state-of-the-art Piecewise Deterministic Markov Processes to sample from the resulting transdimensional posterior with minimal user tuning.

The temporal analysis of products (TAP) technique produces extensive transient kinetic data sets, but it is challenging to translate the large quantity of raw data into physically interpretable kinetic models, largely due to the computational scaling of existing numerical methods for fitting TAP data. In this work, we utilize kinetics-informed neural networks (KINNs), which are artificial feedforward neural networks designed to solve ordinary differential equations constrained by micro-kinetic models, to model the TAP data. We demonstrate that, under the assumption that all concentrations are known in the thin catalyst zone, KINNs can simultaneously fit the transient data, retrieve the kinetic model parameters, and interpolate unseen pulse behavior for multi-pulse experiments. We further demonstrate that, by modifying the loss function, KINNs maintain these capabilities even when precise thin-zone information is unavailable, as would be the case with real experimental TAP data. We also compare the approach to existing optimization techniques, which reveals improved noise tolerance and performance in extracting kinetic parameters. The KINNs approach offers an efficient alternative for TAP analysis and can assist in interpreting transient kinetics in complex systems over long timescales.

Making inference with spatial extremal dependence models can be computationally burdensome since they involve intractable and/or censored likelihoods. Building on recent advances in likelihood-free inference with neural Bayes estimators, that is, neural networks that approximate Bayes estimators, we develop highly efficient estimators for censored peaks-over-threshold models that {use data augmentation techniques} to encode censoring information in the neural network {input}. Our new method provides a paradigm shift that challenges traditional censored likelihood-based inference methods for spatial extremal dependence models. Our simulation studies highlight significant gains in both computational and statistical efficiency, relative to competing likelihood-based approaches, when applying our novel estimators to make inference with popular extremal dependence models, such as max-stable, $r$-Pareto, and random scale mixture process models. We also illustrate that it is possible to train a single neural Bayes estimator for a general censoring level, precluding the need to retrain the network when the censoring level is changed. We illustrate the efficacy of our estimators by making fast inference on hundreds-of-thousands of high-dimensional spatial extremal dependence models to assess extreme particulate matter 2.5 microns or less in diameter (${\rm PM}_{2.5}$) concentration over the whole of Saudi Arabia.

We extend the laminate based framework of direct Deep Material Networks (DMNs) to treat suspensions of rigid fibers in a non-Newtonian solvent. To do so, we derive two-phase homogenization blocks that are capable of treating incompressible fluid phases and infinite material contrast. In particular, we leverage existing results for linear elastic laminates to identify closed form expressions for the linear homogenization functions of two-phase layered emulsions. To treat infinite material contrast, we rely on the repeated layering of two-phase layered emulsions in the form of coated layered materials. We derive necessary and sufficient conditions which ensure that the effective properties of coated layered materials with incompressible phases are non-singular, even if one of the phases is rigid. With the derived homogenization blocks and non-singularity conditions at hand, we present a novel DMN architecture, which we name the Flexible DMN (FDMN) architecture. We build and train FDMNs to predict the effective stress response of shear-thinning fiber suspensions with a Cross-type matrix material. For 31 fiber orientation states, six load cases, and over a wide range of shear rates relevant to engineering processes, the FDMNs achieve validation errors below 4.31% when compared to direct numerical simulations with Fast-Fourier-Transform based computational techniques. Compared to a conventional machine learning approach introduced previously by the consortium of authors, FDMNs offer better accuracy at an increased computational cost for the considered material and flow scenarios.

We studied the dynamical properties of Rabi oscillations driven by an alternating Rashba field applied to a two-dimensional (2D) harmonic confinement system. We solve the time-dependent (TD) Schr\"{o}dinger equation numerically and rewrite the resulting TD wavefunction onto the Bloch sphere (BS) using two BS parameters of the zenith ($\theta_B$) and azimuthal ($\phi_B$) angles, extracting the phase information $\phi_B$ as well as the mixing ratio $\theta_B$ between the two BS-pole states. We employed a two-state rotating wave (TSRW) approach and studied the fundamental features of $\theta_B$ and $\phi_B$ over time. The TSRW approach reveals a triangular wave formation in $\theta_B$. Moreover, at each apex of the triangular wave, the TD wavefunction passes through the BS pole, and the state is completely replaced by the opposite spin state. The TSRW approach also elucidates a linear change in $\phi_B$. The slope of $\phi_B$ vs. time is equal to the difference between the dynamical terms, leading to a confinement potential in the harmonic system. The TSRW approach further demonstrates a jump in the phase difference by $\pi$ when the wavefunction passes through the BS pole. The alternating Rashba field causes multiple successive Rabi transitions in the 2D harmonic system. We then introduce the effective BS (EBS) and transform these complicated transitions into an equivalent "single" Rabi one. Consequently, the EBS parameters $\theta_B^{\mathrm{eff}}$ and $\phi_B^{\mathrm{eff}}$ exhibit mixing and phase difference between two spin states $\alpha$ and $\beta$, leading to a deep understanding of the TD features of multi-Rabi oscillations. Furthermore, the combination of the BS representation with the TSRW approach successfully reveals the dynamical properties of the Rabi oscillation, even beyond the TSRW approximation.

This paper presents a platform to facilitate the deployment of applications in Internet of Things (IoT) devices. The platform allows to the programmers to use a Function-as-a-Service programming paradigm that are managed and configured in a Platform-as-a-Service web tool. The tool also allows to establish interoperability between the functions of the applications. The proposed platform obtained faster and easier deployments of the applications and the resource usages of the IoT devices also were lower in relation to a deployment process based in containers of Docker.

We present ResMLP, an architecture built entirely upon multi-layer perceptrons for image classification. It is a simple residual network that alternates (i) a linear layer in which image patches interact, independently and identically across channels, and (ii) a two-layer feed-forward network in which channels interact independently per patch. When trained with a modern training strategy using heavy data-augmentation and optionally distillation, it attains surprisingly good accuracy/complexity trade-offs on ImageNet. We will share our code based on the Timm library and pre-trained models.

Recent advances in 3D fully convolutional networks (FCN) have made it feasible to produce dense voxel-wise predictions of volumetric images. In this work, we show that a multi-class 3D FCN trained on manually labeled CT scans of several anatomical structures (ranging from the large organs to thin vessels) can achieve competitive segmentation results, while avoiding the need for handcrafting features or training class-specific models. To this end, we propose a two-stage, coarse-to-fine approach that will first use a 3D FCN to roughly define a candidate region, which will then be used as input to a second 3D FCN. This reduces the number of voxels the second FCN has to classify to ~10% and allows it to focus on more detailed segmentation of the organs and vessels. We utilize training and validation sets consisting of 331 clinical CT images and test our models on a completely unseen data collection acquired at a different hospital that includes 150 CT scans, targeting three anatomical organs (liver, spleen, and pancreas). In challenging organs such as the pancreas, our cascaded approach improves the mean Dice score from 68.5 to 82.2%, achieving the highest reported average score on this dataset. We compare with a 2D FCN method on a separate dataset of 240 CT scans with 18 classes and achieve a significantly higher performance in small organs and vessels. Furthermore, we explore fine-tuning our models to different datasets. Our experiments illustrate the promise and robustness of current 3D FCN based semantic segmentation of medical images, achieving state-of-the-art results. Our code and trained models are available for download: //github.com/holgerroth/3Dunet_abdomen_cascade.