Soft materials play an integral part in many aspects of modern life including autonomy, sustainability, and human health, and their accurate modeling is critical to understand their unique properties and functions. Today's finite element analysis packages come with a set of pre-programmed material models, which may exhibit restricted validity in capturing the intricate mechanical behavior of these materials. Regrettably, incorporating a modified or novel material model in a finite element analysis package requires non-trivial in-depth knowledge of tensor algebra, continuum mechanics, and computer programming, making it a complex task that is prone to human error. Here we design a universal material subroutine, which automates the integration of novel constitutive models of varying complexity in non-linear finite element packages, with no additional analytical derivations and algorithmic implementations. We demonstrate the versatility of our approach to seamlessly integrate innovative constituent models from the material point to the structural level through a variety of soft matter case studies: a frontal impact to the brain; reconstructive surgery of the scalp; diastolic loading of arteries and the human heart; and the dynamic closing of the tricuspid valve. Our universal material subroutine empowers all users, not solely experts, to conduct reliable engineering analysis of soft matter systems. We envision that this framework will become an indispensable instrument for continued innovation and discovery within the soft matter community at large.
Scoring rules promote rational and honest decision-making, which is becoming increasingly important for automated procedures in `auto-ML'. In this paper we survey common squared and logarithmic scoring rules for survival analysis and determine which losses are proper and improper. We prove that commonly utilised squared and logarithmic scoring rules that are claimed to be proper are in fact improper, such as the Integrated Survival Brier Score (ISBS). We further prove that under a strict set of assumptions a class of scoring rules is strictly proper for, what we term, `approximate' survival losses. Despite the difference in properness, experiments in simulated and real-world datasets show there is no major difference between improper and proper versions of the widely-used ISBS, ensuring that we can reasonably trust previous experiments utilizing the original score for evaluation purposes. We still advocate for the use of proper scoring rules, as even minor differences between losses can have important implications in automated processes such as model tuning. We hope our findings encourage further research into the properties of survival measures so that robust and honest evaluation of survival models can be achieved.
The increasing reliance on numerical methods for controlling dynamical systems and training machine learning models underscores the need to devise algorithms that dependably and efficiently navigate complex optimization landscapes. Classical gradient descent methods offer strong theoretical guarantees for convex problems; however, they demand meticulous hyperparameter tuning for non-convex ones. The emerging paradigm of learning to optimize (L2O) automates the discovery of algorithms with optimized performance leveraging learning models and data - yet, it lacks a theoretical framework to analyze convergence of the learned algorithms. In this paper, we fill this gap by harnessing nonlinear system theory. Specifically, we propose an unconstrained parametrization of all convergent algorithms for smooth non-convex objective functions. Notably, our framework is directly compatible with automatic differentiation tools, ensuring convergence by design while learning to optimize.
A swarm intelligence-based optimization algorithm, named Duck Swarm Algorithm (DSA), is proposed in this study, which is inspired by the searching for food sources and foraging behaviors of the duck swarm. Two rules are modeled from the finding food and foraging of the duck, which corresponds to the exploration and exploitation phases of the proposed DSA, respectively. The performance of the DSA is verified by using multiple CEC benchmark functions, where its statistical (best, mean, standard deviation, and average running-time) results are compared with seven well-known algorithms like Particle swarm optimization (PSO), Firefly algorithm (FA), Chicken swarm optimization (CSO), Grey wolf optimizer (GWO), Sine cosine algorithm (SCA), and Marine-predators algorithm (MPA), and Archimedes optimization algorithm (AOA). Moreover, the Wilcoxon rank-sum test, Friedman test, and convergence curves of the comparison results are utilized to prove the superiority of the DSA against other algorithms. The results demonstrate that DSA is a high-performance optimization method in terms of convergence speed and exploration-exploitation balance for solving the numerical optimization problems. Also, DSA is applied for the optimal design of six engineering constrained optimization problems and the node optimization deployment task of the Wireless Sensor Network (WSN). Overall, the comparison results revealed that the DSA is a promising and very competitive algorithm for solving different optimization problems.
This article aims to study efficient/trace optimal designs for crossover trials with multiple responses recorded from each subject in the time periods. A multivariate fixed effects model is proposed with direct and carryover effects corresponding to the multiple responses. The corresponding error dispersion matrix is chosen to be either of the proportional or the generalized Markov covariance type, permitting the existence of direct and cross-correlations within and between the multiple responses. The corresponding information matrices for direct effects under the two types of dispersions are used to determine efficient designs. The efficiency of orthogonal array designs of Type $I$ and strength $2$ is investigated for a wide choice of covariance functions, namely, Mat($0.5$), Mat($1.5$) and Mat($\infty$). To motivate these multivariate crossover designs, a gene expression dataset in a $3 \times 3$ framework is utilized.
This paper is devoted to the study of a novel mixed Finite Element Method for approximating the solutions of fourth order variational problems subjected to a constraint. The first problem we consider consists in establishing the convergence of the error of the numerical approximation of the solution of a biharmonic obstacle problem. The contents of this section are meant to generalise the approach originally proposed by Ciarlet \& Raviart, and then complemented by Ciarlet \& Glowinski. The second problem we consider amounts to studying a two-dimensional variational problem for linearly elastic shallow shells subjected to remaining confined in a prescribed half-space. We first study the case where the parametrisation of the middle surface for the linearly elastic shallow shell under consideration has non-zero curvature, and we observe that the numerical approximation of this model via a mixed Finite Element Method based on conforming elements requires the implementation of the additional constraint according to which the gradient matrix of the dual variable has to be symmetric. However, differently from the biharmonic obstacle problem previously studied, we show that the numerical implementation of this result cannot be implemented by solely resorting to Courant triangles. Finally, we show that if the middle surface of the linearly elastic shallow shell under consideration is flat, the symmetry constraint required for formulating the constrained mixed variational problem announced in the second part of the paper is not required, and the solution can thus be approximated by solely resorting to Courant triangles. The theoretical results we derived are complemented by a series of numerical experiments.
Many scientific models are composed of multiple discrete components, and scientists often make heuristic decisions about which components to include. Bayesian inference provides a mathematical framework for systematically selecting model components, but defining prior distributions over model components and developing associated inference schemes has been challenging. We approach this problem in a simulation-based inference framework: We define model priors over candidate components and, from model simulations, train neural networks to infer joint probability distributions over both model components and associated parameters. Our method, simulation-based model inference (SBMI), represents distributions over model components as a conditional mixture of multivariate binary distributions in the Grassmann formalism. SBMI can be applied to any compositional stochastic simulator without requiring likelihood evaluations. We evaluate SBMI on a simple time series model and on two scientific models from neuroscience, and show that it can discover multiple data-consistent model configurations, and that it reveals non-identifiable model components and parameters. SBMI provides a powerful tool for data-driven scientific inquiry which will allow scientists to identify essential model components and make uncertainty-informed modelling decisions.
The problems of optimal recovering univariate functions and their derivatives are studied. To solve these problems, two variants of the truncation method are constructed, which are order-optimal both in the sense of accuracy and in terms of the amount of involved Galerkin information. For numerical summation, it has been established how the parameters characterizing the problem being solved affect its stability.
Conventional computing paradigm struggles to fulfill the rapidly growing demands from emerging applications, especially those for machine intelligence, because much of the power and energy is consumed by constant data transfers between logic and memory modules. A new paradigm, called "computational random-access memory (CRAM)" has emerged to address this fundamental limitation. CRAM performs logic operations directly using the memory cells themselves, without having the data ever leave the memory. The energy and performance benefits of CRAM for both conventional and emerging applications have been well established by prior numerical studies. However, there lacks an experimental demonstration and study of CRAM to evaluate its computation accuracy, which is a realistic and application-critical metrics for its technological feasibility and competitiveness. In this work, a CRAM array based on magnetic tunnel junctions (MTJs) is experimentally demonstrated. First, basic memory operations as well as 2-, 3-, and 5-input logic operations are studied. Then, a 1-bit full adder with two different designs is demonstrated. Based on the experimental results, a suite of modeling has been developed to characterize the accuracy of CRAM computation. Scalar addition, multiplication, and matrix multiplication, which are essential building blocks for many conventional and machine intelligence applications, are evaluated and show promising accuracy performance. With the confirmation of MTJ-based CRAM's accuracy, there is a strong case that this technology will have a significant impact on power- and energy-demanding applications of machine intelligence.
Given a finite set of matrices with integer entries, the matrix mortality problem asks if there exists a product of these matrices equal to the zero matrix. We consider a special case of this problem where all entries of the matrices are nonnegative. This case is equivalent to the NFA mortality problem, which, given an NFA, asks for a word $w$ such that the image of every state under $w$ is the empty set. The size of the alphabet of the NFA is then equal to the number of matrices in the set. We study the length of shortest such words depending on the size of the alphabet. We show that this length for an NFA with $n$ states can be at least $2^n - 1$, $2^{(n - 4)/2}$ and $2^{(n - 2)/3}$ if the size of the alphabet is, respectively, equal to $n$, three and two.
Within distributed learning, workers typically compute gradients on their assigned dataset chunks and send them to the parameter server (PS), which aggregates them to compute either an exact or approximate version of $\nabla L$ (gradient of the loss function $L$). However, in large-scale clusters, many workers are slower than their promised speed or even failure-prone. A gradient coding solution introduces redundancy within the assignment of chunks to the workers and uses coding theoretic ideas to allow the PS to recover $\nabla L$ (exactly or approximately), even in the presence of stragglers. Unfortunately, most existing gradient coding protocols are inefficient from a computation perspective as they coarsely classify workers as operational or failed; the potentially valuable work performed by slow workers (partial stragglers) is ignored. In this work, we present novel gradient coding protocols that judiciously leverage the work performed by partial stragglers. Our protocols are efficient from a computation and communication perspective and numerically stable. For an important class of chunk assignments, we present efficient algorithms for optimizing the relative ordering of chunks within the workers; this ordering affects the overall execution time. For exact gradient reconstruction, our protocol is around $2\times$ faster than the original class of protocols and for approximate gradient reconstruction, the mean-squared-error of our reconstructed gradient is several orders of magnitude better.