In this study, we developed an inverse analysis framework that proposes a microstructure for dual-phase (DP) steel that exhibits high strength and ductility. The inverse analysis method proposed in this study involves repeated random searches on a model that combines a generative adversarial network (GAN), which generates microstructures, and a convolutional neural network (CNN), which predicts the maximum stress and working limit strain from DP steel microstructures. GAN was trained using images of DP steel microstructures generated by the phase-field method. CNN was trained using images of DP steel microstructures, the maximum stress and the working limit strain calculated by the dislocation-crystal plasticity finite element method. The constructed framework made an efficient search for microstructures possible because of a low-dimensional search space by a latent variable of GAN. The multiple deformation modes were considered in this framework, which allowed the required microstructures to be explored under complex deformation modes. A microstructure with a fine grain size was proposed by using the developed framework.
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A procedure for multiple testing of partial conjunction hypotheses based on a hazard rate inequality
The partial conjunction null hypothesis is tested in order to discover a signal that is present in multiple studies. The standard approach of carrying out a multiple test procedure on the partial conjunction (PC) $p$-values can be extremely conservative. We suggest alleviating this conservativeness, by eliminating many of the conservative PC $p$-values prior to the application of a multiple test procedure. This leads to the following two step procedure: first, select the set with PC $p$-values below a selection threshold; second, within the selected set only, apply a family-wise error rate or false discovery rate controlling procedure on the conditional PC $p$-values. The conditional PC $p$-values are valid if the null p-values are uniform and the combining method is Fisher. The proof of their validity is based on a novel inequality in hazard rate order of partial sums of order statistics which may be of independent interest. We also provide the conditions for which the false discovery rate controlling procedures considered will be below the nominal level. We demonstrate the potential usefulness of our novel method, CoFilter (conditional testing after filtering), for analyzing multiple genome wide association studies of Crohn's disease.
There is a recent boom in the development of AI solutions to facilitate and enhance diagnostic procedures for established clinical tools. To assess the integrity of the developing nervous system, the Prechtl general movement assessment (GMA) is recognized for its clinical value in the diagnosis of neurological impairments in early infancy. GMA has been increasingly augmented through machine learning approaches intending to scale-up its application, circumvent costs in the training of human assessors and further standardize classification of spontaneous motor patterns. Available deep learning tools, all of which are based on single sensor modalities, are however still considerably inferior to that of well-trained human assessors. These approaches are hardly comparable as all models are designed, trained and evaluated on proprietary/ silo-data sets. We propose a sensor fusion approach for assessing fidgety movements (FMs) comparing three different sensor modalities (pressure, inertial, and visual sensors). Various combinations and two sensor fusion approaches (late and early fusion) for infant movement classification were tested to evaluate whether a multi-sensor system outperforms single modality assessments. The performance of the three-sensor fusion (classification accuracy of 94.5\%) was significantly higher than that of any single modality evaluated, suggesting the sensor fusion approach is a promising avenue for automated classification of infant motor patterns. The development of a robust sensor fusion system may significantly enhance AI-based early recognition of neurofunctions, ultimately facilitating early implementation of automated detection of neurodevelopmental conditions.
Using validated numerical methods, interval arithmetic and Taylor models, we propose a certified predictor-corrector loop for tracking zeros of polynomial systems with a parameter. We provide a Rust implementation which shows tremendous improvement over existing software for certified path tracking.
Identifying and suppressing unknown disturbances to dynamical systems is a problem with applications in many different fields. Here we present a model-free method to identify and suppress an unknown disturbance to an unknown system based only on previous observations of the system under the influence of a known forcing function. We find that, under very mild restrictions on the training function, our method is able to robustly identify and suppress a large class of unknown disturbances. We illustrate our scheme with the identification of both deterministic and stochastic unknown disturbances to an analog electric chaotic circuit and with a numerical example where a chaotic disturbance to the Lorenz system is identified and suppressed.
Recently, addressing spatial confounding has become a major topic in spatial statistics. However, the literature has provided conflicting definitions, and many proposed definitions do not address the issue of confounding as it is understood in causal inference. We define spatial confounding as the existence of an unmeasured causal confounder with a spatial structure. We present a causal inference framework for nonparametric identification of the causal effect of a continuous exposure on an outcome in the presence of spatial confounding. We propose double machine learning (DML), a procedure in which flexible models are used to regress both the exposure and outcome variables on confounders to arrive at a causal estimator with favorable robustness properties and convergence rates, and we prove that this approach is consistent and asymptotically normal under spatial dependence. As far as we are aware, this is the first approach to spatial confounding that does not rely on restrictive parametric assumptions (such as linearity, effect homogeneity, or Gaussianity) for both identification and estimation. We demonstrate the advantages of the DML approach analytically and in simulations. We apply our methods and reasoning to a study of the effect of fine particulate matter exposure during pregnancy on birthweight in California.
The Spatial AutoRegressive model (SAR) is commonly used in studies involving spatial and network data to estimate the spatial or network peer influence and the effects of covariates on the response, taking into account the spatial or network dependence. While the model can be efficiently estimated with a Quasi maximum likelihood approach (QMLE), the detrimental effect of covariate measurement error on the QMLE and how to remedy it is currently unknown. If covariates are measured with error, then the QMLE may not have the $\sqrt{n}$ convergence and may even be inconsistent even when a node is influenced by only a limited number of other nodes or spatial units. We develop a measurement error-corrected ML estimator (ME-QMLE) for the parameters of the SAR model when covariates are measured with error. The ME-QMLE possesses statistical consistency and asymptotic normality properties. We consider two types of applications. The first is when the true covariate cannot be measured directly, and a proxy is observed instead. The second one involves including latent homophily factors estimated with error from the network for estimating peer influence. Our numerical results verify the bias correction property of the estimator and the accuracy of the standard error estimates in finite samples. We illustrate the method on a real dataset related to county-level death rates from the COVID-19 pandemic.
In this paper, we propose a local squared Wasserstein-2 (W_2) method to solve the inverse problem of reconstructing models with uncertain latent variables or parameters. A key advantage of our approach is that it does not require prior information on the distribution of the latent variables or parameters in the underlying models. Instead, our method can efficiently reconstruct the distributions of the output associated with different inputs based on empirical distributions of observation data. We demonstrate the effectiveness of our proposed method across several uncertainty quantification (UQ) tasks, including linear regression with coefficient uncertainty, training neural networks with weight uncertainty, and reconstructing ordinary differential equations (ODEs) with a latent random variable.
Neural operators have emerged as a powerful tool for learning the mapping between infinite-dimensional parameter and solution spaces of partial differential equations (PDEs). In this work, we focus on multiscale PDEs that have important applications such as reservoir modeling and turbulence prediction. We demonstrate that for such PDEs, the spectral bias towards low-frequency components presents a significant challenge for existing neural operators. To address this challenge, we propose a hierarchical attention neural operator (HANO) inspired by the hierarchical matrix approach. HANO features a scale-adaptive interaction range and self-attentions over a hierarchy of levels, enabling nested feature computation with controllable linear cost and encoding/decoding of multiscale solution space. We also incorporate an empirical $H^1$ loss function to enhance the learning of high-frequency components. Our numerical experiments demonstrate that HANO outperforms state-of-the-art (SOTA) methods for representative multiscale problems.
In this paper, we focus on the finite difference approximation of nonlinear degenerate parabolic equations, a special class of parabolic equations where the viscous term vanishes in certain regions. This vanishing gives rise to additional challenges in capturing sharp fronts, beyond the restrictive CFL conditions commonly encountered with explicit time discretization in parabolic equations. To resolve the sharp front, we adopt the high-order multi-resolution alternative finite difference WENO (A-WENO) methods for the spatial discretization. To alleviate the time step restriction from the nonlinear stiff diffusion terms, we employ the exponential time differencing Runge-Kutta (ETD-RK) methods, a class of efficient and accurate exponential integrators, for the time discretization. However, for highly nonlinear spatial discretizations such as high-order WENO schemes, it is a challenging problem how to efficiently form the linear stiff part in applying the exponential integrators, since direct computation of a Jacobian matrix for high-order WENO discretizations of the nonlinear diffusion terms is very complicated and expensive. Here we propose a novel and effective approach of replacing the exact Jacobian of high-order multi-resolution A-WENO scheme with that of the corresponding high-order linear scheme in the ETD-RK time marching, based on the fact that in smooth regions the nonlinear weights closely approximate the optimal linear weights, while in non-smooth regions the stiff diffusion degenerates. The algorithm is described in detail, and numerous numerical experiments are conducted to demonstrate the effectiveness of such a treatment and the good performance of our method. The stiffness of the nonlinear parabolic partial differential equations (PDEs) is resolved well, and large time-step size computations are achieved.
Determining which parameters of a non-linear model best describe a set of experimental data is a fundamental problem in science and it has gained much traction lately with the rise of complex large-scale simulators. The likelihood of such models is typically intractable, which is why classical MCMC methods can not be used. Simulation-based inference (SBI) stands out in this context by only requiring a dataset of simulations to train deep generative models capable of approximating the posterior distribution that relates input parameters to a given observation. In this work, we consider a tall data extension in which multiple observations are available to better infer the parameters of the model. The proposed method is built upon recent developments from the flourishing score-based diffusion literature and allows to estimate the tall data posterior distribution, while simply using information from a score network trained for a single context observation. We compare our method to recently proposed competing approaches on various numerical experiments and demonstrate its superiority in terms of numerical stability and computational cost.
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