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High-quality samples generated with score-based reverse diffusion algorithms provide evidence that deep neural networks (DNN) trained for denoising can learn high-dimensional densities, despite the curse of dimensionality. However, recent reports of memorization of the training set raise the question of whether these networks are learning the "true" continuous density of the data. Here, we show that two denoising DNNs trained on non-overlapping subsets of a dataset learn nearly the same score function, and thus the same density, with a surprisingly small number of training images. This strong generalization demonstrates an alignment of powerful inductive biases in the DNN architecture and/or training algorithm with properties of the data distribution. We analyze these, demonstrating that the denoiser performs a shrinkage operation in a basis adapted to the underlying image. Examination of these bases reveals oscillating harmonic structures along contours and in homogeneous image regions. We show that trained denoisers are inductively biased towards these geometry-adaptive harmonic representations by demonstrating that they arise even when the network is trained on image classes such as low-dimensional manifolds, for which the harmonic basis is suboptimal. Additionally, we show that the denoising performance of the networks is near-optimal when trained on regular image classes for which the optimal basis is known to be geometry-adaptive and harmonic.

Survival time is the primary endpoint of many randomized controlled trials, and a treatment effect is typically quantified by the hazard ratio under the assumption of proportional hazards. Awareness is increasing that in many settings this assumption is a-priori violated, e.g. due to delayed onset of drug effect. In these cases, interpretation of the hazard ratio estimate is ambiguous and statistical inference for alternative parameters to quantify a treatment effect is warranted. We consider differences or ratios of milestone survival probabilities or quantiles, differences in restricted mean survival times and an average hazard ratio to be of interest. Typically, more than one such parameter needs to be reported to assess possible treatment benefits, and in confirmatory trials the according inferential procedures need to be adjusted for multiplicity. By using the counting process representation of the mentioned parameters, we show that their estimates are asymptotically multivariate normal and we propose according parametric multiple testing procedures and simultaneous confidence intervals. Also, the logrank test may be included in the framework. Finite sample type I error rate and power are studied by simulation. The methods are illustrated with an example from oncology. A software implementation is provided in the R package nph.

In this work, we examine the prevalent use of Frobenius error minimization in covariance matrix cleaning. Currently, minimizing the Frobenius error offers a limited interpretation within information theory. To better understand this relationship, we focus on the Kullback-Leibler divergence as a measure of the information lost by the optimal estimators. Our analysis centers on rotationally invariant estimators for data following an inverse Wishart population covariance matrix, and we derive an analytical expression for their Kullback-Leibler divergence. Due to the intricate nature of the calculations, we use genetic programming regressors paired with human intuition. Ultimately, we establish a more defined link between the Frobenius error and information theory, showing that the former corresponds to a first-order expansion term of the Kullback-Leibler divergence.

We present an optimal transport approach for mesh adaptivity and shock capturing of compressible flows. Shock capturing is based on a viscosity regularization of the governing equations by introducing an artificial viscosity field as solution of the Helmholtz equation. Mesh adaptation is based on the optimal transport theory by formulating a mesh mapping as solution of Monge-Ampere equation. The marriage of optimal transport and viscosity regularization for compressible flows leads to a coupled system of the compressible Euler/Navier-Stokes equations, the Helmholtz equation, and the Monge-Ampere equation. We propose an iterative procedure to solve the coupled system in a sequential fashion using homotopy continuation to minimize the amount of artificial viscosity while enforcing positivity-preserving and smoothness constraints on the numerical solution. We explore various mesh monitor functions for computing r-adaptive meshes in order to reduce the amount of artificial dissipation and improve the accuracy of the numerical solution. The hybridizable discontinuous Galerkin method is used for the spatial discretization of the governing equations to obtain high-order accurate solutions. Extensive numerical results are presented to demonstrate the optimal transport approach on transonic, supersonic, hypersonic flows in two dimensions. The approach is found to yield accurate, sharp yet smooth solutions within a few mesh adaptation iterations.

Nowadays, numerical models are widely used in most of engineering fields to simulate the behaviour of complex systems, such as for example power plants or wind turbine in the energy sector. Those models are nevertheless affected by uncertainty of different nature (numerical, epistemic) which can affect the reliability of their predictions. We develop here a new method for quantifying conditional parameter uncertainty within a chain of two numerical models in the context of multiphysics simulation. More precisely, we aim to calibrate the parameters $\theta$ of the second model of the chain conditionally on the value of parameters $\lambda$ of the first model, while assuming the probability distribution of $\lambda$ is known. This conditional calibration is carried out from the available experimental data of the second model. In doing so, we aim to quantify as well as possible the impact of the uncertainty of $\lambda$ on the uncertainty of $\theta$. To perform this conditional calibration, we set out a nonparametric Bayesian formalism to estimate the functional dependence between $\theta$ and $\lambda$, denoted by $\theta(\lambda)$. First, each component of $\theta(\lambda)$ is assumed to be the realization of a Gaussian process prior. Then, if the second model is written as a linear function of $\theta(\lambda)$, the Bayesian machinery allows us to compute analytically the posterior predictive distribution of $\theta(\lambda)$ for any set of realizations $\lambda$. The effectiveness of the proposed method is illustrated on several analytical examples.

Preference-based optimization algorithms are iterative procedures that seek the optimal calibration of a decision vector based only on comparisons between couples of different tunings. At each iteration, a human decision-maker expresses a preference between two calibrations (samples), highlighting which one, if any, is better than the other. The optimization procedure must use the observed preferences to find the tuning of the decision vector that is most preferred by the decision-maker, while also minimizing the number of comparisons. In this work, we formulate the preference-based optimization problem from a utility theory perspective. Then, we propose GLISp-r, an extension of a recent preference-based optimization procedure called GLISp. The latter uses a Radial Basis Function surrogate to describe the tastes of the decision-maker. Iteratively, GLISp proposes new samples to compare with the best calibration available by trading off exploitation of the surrogate model and exploration of the decision space. In GLISp-r, we propose a different criterion to use when looking for new candidate samples that is inspired by MSRS, a popular procedure in the black-box optimization framework. Compared to GLISp, GLISp-r is less likely to get stuck on local optima of the preference-based optimization problem. We motivate this claim theoretically, with a proof of global convergence, and empirically, by comparing the performances of GLISp and GLISp-r on several benchmark optimization problems.

Brittle solids are often toughened by adding a second-phase material. This practice often results in composites with material heterogeneities on the meso scale: large compared to the scale of the process zone but small compared to that of the application. The specific configuration (both geometrical and mechanical) of this mesoscale heterogeneity is generally recognized as important in determining crack propagation and, subsequently, the (effective) toughness of the composite. Here, we systematically investigate how dynamic crack propagation is affected by mesoscale heterogeneities taking the form of an array of inclusions. Using a variational phase-field approach, we compute the apparent crack speed and fracture energy dissipation rate to compare crack propagation under Mode-I loading across different configurations of these inclusions. If fixing the volume fraction of inclusions, matching the inclusion size to the K-dominance zone size gives rise to the best toughening outcome. Conversely, if varying the volume fraction of inclusions, a lower volume fraction configuration can lead to a better toughening outcome if and only if the inclusion size approaches from above the size of the K-dominance zone. Since the size of the K-dominance zone can be estimated \textit{a priori} given an understanding of the application scenario and material availability, we can, in principle, exploit this estimation to design a material's mesoscale heterogeneity that optimally balances the tradeoff between strength and toughness. This paves the way for realizing functional (meta-)materials against crack propagation in extreme environments.

Temporal analysis of products (TAP) reactors enable experiments that probe numerous kinetic processes within a single set of experimental data through variations in pulse intensity, delay, or temperature. Selecting additional TAP experiments often involves arbitrary selection of reaction conditions or the use of chemical intuition. To make experiment selection in TAP more robust, we explore the efficacy of model-based design of experiments (MBDoE) for precision in TAP reactor kinetic modeling. We successfully applied this approach to a case study of synthetic oxidative propane dehydrogenation (OPDH) that involves pulses of propane and oxygen. We found that experiments identified as optimal through the MBDoE for precision generally reduce parameter uncertainties to a higher degree than alternative experiments. The performance of MBDoE for model divergence was also explored for OPDH, with the relevant active sites (catalyst structure) being unknown. An experiment that maximized the divergence between the three proposed mechanisms was identified and led to clear mechanism discrimination. However, re-optimization of kinetic parameters eliminated the ability to discriminate. The findings yield insight into the prospects and limitations of MBDoE for TAP and transient kinetic experiments.

With the remarkable progress that technology has made, the need for processing data near the sensors at the edge has increased dramatically. The electronic systems used in these applications must process data continuously, in real-time, and extract relevant information using the smallest possible energy budgets. A promising approach for implementing always-on processing of sensory signals that supports on-demand, sparse, and edge-computing is to take inspiration from biological nervous system. Following this approach, we present a brain-inspired platform for prototyping real-time event-based Spiking Neural Networks (SNNs). The system proposed supports the direct emulation of dynamic and realistic neural processing phenomena such as short-term plasticity, NMDA gating, AMPA diffusion, homeostasis, spike frequency adaptation, conductance-based dendritic compartments and spike transmission delays. The analog circuits that implement such primitives are paired with a low latency asynchronous digital circuits for routing and mapping events. This asynchronous infrastructure enables the definition of different network architectures, and provides direct event-based interfaces to convert and encode data from event-based and continuous-signal sensors. Here we describe the overall system architecture, we characterize the mixed signal analog-digital circuits that emulate neural dynamics, demonstrate their features with experimental measurements, and present a low- and high-level software ecosystem that can be used for configuring the system. The flexibility to emulate different biologically plausible neural networks, and the chip's ability to monitor both population and single neuron signals in real-time, allow to develop and validate complex models of neural processing for both basic research and edge-computing applications.

Class imbalance (CI) in classification problems arises when the number of observations belonging to one class is lower than the other. Ensemble learning combines multiple models to obtain a robust model and has been prominently used with data augmentation methods to address class imbalance problems. In the last decade, a number of strategies have been added to enhance ensemble learning and data augmentation methods, along with new methods such as generative adversarial networks (GANs). A combination of these has been applied in many studies, but the true rank of different combinations would require a computational review. In this paper, we present a computational review to evaluate data augmentation and ensemble learning methods used to address prominent benchmark CI problems. We present a general framework that evaluates 10 data augmentation and 10 ensemble learning methods for CI problems. Our objective is to identify the most effective combination for improving classification performance on imbalanced datasets. The results indicate that combinations of data augmentation methods with ensemble learning can significantly improve classification performance on imbalanced datasets. Our study is vital for the development of novel models for handling imbalanced datasets.