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Reaction dynamics and early-time behaviour of chemical decontamination 化学净化的反应动力学和早期行为
IF 1.2 4区 数学 Q2 MATHEMATICS, APPLIED Pub Date : 2024-01-25 DOI: 10.1093/imamat/hxae001
S Murphy, M Vynnycky, S L Mitchell, D O’Kiely
When a hazardous chemical soaks into a porous material such as a concrete floor, it can be difficult to remove. One approach is chemical decontamination, where a cleanser is added to react with and neutralise the contaminating agent. The goal of this paper is to investigate the reaction dynamics and the factors that affect the efficacy of the decontamination procedure. We consider a one-dimensional porous medium initially saturated with an oil-based agent. An aqueous cleanser is applied at the surface, so the two chemicals are immiscible and a boundary forms between them. A neutralising reaction takes place at this boundary in which cleanser and agent are consumed and reaction products are created. This is a Stefan problem, and the boundary between the cleanser and agent moves as the reaction proceeds. Reaction products formed at the interface may dissolve in one or both liquids. This may temporarily prevent cleanser and/or agent from reaching the reaction site, so diffusion of the chemical species, in particular the diffusion of product from the interface, plays a key role. The scenario described above was considered previously by ?? in the limit where the depth of the porous medium is large compared to the length scale over which concentrations vary inside the medium. Here, we present results that are valid for any ratio between these length scales and an analysis of agent removal times for various dimensionless parameter regimes. We also highlight the emergence of a boundary layer associated with diffusion in the oil phase for early times, where the thickness of the boundary layer is directly proportional to the square root of the time variable.
当危险化学品浸入混凝土地板等多孔材料中时,就很难清除。一种方法是化学去污,即加入清洁剂与污染物质发生反应并中和。本文的目的是研究反应动力学以及影响去污过程效果的因素。我们考虑了一种一维多孔介质,该介质最初饱和了油基污染物。在表面涂上水性清洁剂后,两种化学物质不相溶,并在它们之间形成一个边界。在这个边界上会发生中和反应,消耗清洁剂和药剂,生成反应产物。这是一个斯特凡(Stefan)问题,随着反应的进行,清洁剂和药剂之间的边界会发生移动。在界面上形成的反应产物可能会溶解在一种或两种液体中。这可能会暂时阻止清洁剂和/或药剂到达反应部位,因此化学物质的扩散,特别是产物从界面的扩散,起着关键作用。在多孔介质的深度比介质内部浓度变化的长度尺度大的情况下,?在此,我们提出了适用于这些长度尺度之间任何比例的结果,并分析了各种无量纲参数情况下的药剂去除时间。我们还强调了与早期油相扩散相关的边界层的出现,边界层的厚度与时间变量的平方根成正比。
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引用次数: 0
A Bubble Model for the Gating of Kv Channels Kv 通道门控的气泡模型
IF 1.2 4区 数学 Q2 MATHEMATICS, APPLIED Pub Date : 2024-01-25 DOI: 10.1093/imamat/hxae002
Zilong Song, Robert Eisenberg, Shixin Xu, Huaxiong Huang
Voltage-gated K$_{mathrm{v}}$ channels play fundamental roles in many biological processes, such as the generation of the action potential. The gating mechanism of K$_{mathrm{v}}$ channels is characterized experimentally by single-channel recordings and ensemble properties of the channel currents. In this work, we propose a bubble model coupled with a Poisson-Nernst-Planck (PNP) system to capture the key characteristics, particularly the delay in the opening of channels. The coupled PNP system is solved numerically by a finite-difference method and the solution is compared with an analytical approximation. We hypothesize that the stochastic behaviour of the gating phenomenon is due to randomness of the bubble and channel sizes. The predicted ensemble average of the currents under various applied voltage across the channels is consistent with experimental observations, and the Cole-Moore delay is captured by varying the holding potential.
电压门控 K$_{mathrm{v}}$ 通道在许多生物过程(如动作电位的产生)中发挥着重要作用。K$_{mathrm{v}}$ 通道的门控机制是通过单通道记录和通道电流的集合特性来进行实验表征的。在这项工作中,我们提出了一个与泊松-诺恩斯特-普朗克(PNP)系统耦合的气泡模型,以捕捉关键特征,尤其是通道开放的延迟。我们采用有限差分法对耦合 PNP 系统进行了数值求解,并将求解结果与分析近似值进行了比较。我们假设,门控现象的随机行为是由于气泡和通道大小的随机性造成的。在通道上施加不同电压的情况下,预测的电流集合平均值与实验观察结果一致,而且通过改变保持电位可以捕捉到科尔-摩尔延迟。
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引用次数: 0
Correction to: Initial-boundary value problem for a fractional heat equation on an interval 更正:区间上分式热方程的初始边界值问题
IF 1.2 4区 数学 Q2 MATHEMATICS, APPLIED Pub Date : 2023-12-02 DOI: 10.1093/imamat/hxad036
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引用次数: 0
Analyzing inexact hypergradients for bilevel learning 分析两层学习的非精确超梯度
IF 1.2 4区 数学 Q2 MATHEMATICS, APPLIED Pub Date : 2023-12-01 DOI: 10.1093/imamat/hxad035
Matthias J Ehrhardt, Lindon Roberts
Estimating hyperparameters has been a long-standing problem in machine learning. We consider the case where the task at hand is modeled as the solution to an optimization problem. Here the exact gradient with respect to the hyperparameters cannot be feasibly computed and approximate strategies are required. We introduce a unified framework for computing hypergradients that generalizes existing methods based on the implicit function theorem and automatic differentiation/backpropagation, showing that these two seemingly disparate approaches are actually tightly connected. Our framework is extremely flexible, allowing its subproblems to be solved with any suitable method, to any degree of accuracy. We derive a priori and computable a posteriori error bounds for all our methods, and numerically show that our a posteriori bounds are usually more accurate. Our numerical results also show that, surprisingly, for efficient bilevel optimization, the choice of hypergradient algorithm is at least as important as the choice of lower-level solver.
估计超参数是机器学习中一个长期存在的问题。我们考虑这样一种情况,即手头的任务被建模为优化问题的解决方案。在这种情况下,关于超参数的精确梯度无法计算,需要近似策略。我们引入了一个统一的计算超梯度的框架,该框架推广了基于隐函数定理和自动微分/反向传播的现有方法,表明这两种看似不同的方法实际上是紧密相连的。我们的框架非常灵活,允许用任何合适的方法以任何精度解决子问题。我们推导了所有方法的先验和可计算的后验误差范围,并在数值上表明我们的后验误差范围通常更准确。我们的数值结果还表明,令人惊讶的是,对于高效的双层优化,选择高梯度算法至少与选择低级解算器一样重要。
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引用次数: 0
Interfacial growth morphologies in dense eutectic crystal mushes 致密共晶糊状中界面生长形态
IF 1.2 4区 数学 Q2 MATHEMATICS, APPLIED Pub Date : 2023-12-01 DOI: 10.1093/imamat/hxad033
A C Fowler, Marian B Holness
We consider the interfacial growth morphologies of crystals growing in contact in crystal mushes, with a specific application to those formed by the solidification of basaltic magma. We focus on the particular case of an augite (pyroxene) crystal growing between two plagioclase crystals. The augite is treated as an equant unfaceted crystal, whereas the plagioclase is faceted, and our treatment applies generally to such combinations. The resulting three-grain junctions in natural rock samples are commonly of two distinct types. In one, the two augite-plagioclase interfaces grow towards each other with opposite curvatures, whereas in the second the curvatures of the interfaces have the same sign, giving a distinctive morphology which we have called an eagle’s beak. The present paper provides a theoretical framework to provide explanations for both of these morphologies, based on the kinetics of interfacial growth.
我们考虑了晶体黏液中接触生长的晶体的界面生长形态,并特别应用于那些由玄武岩岩浆凝固形成的晶体。我们关注的是在两个斜长石晶体之间生长的辉石晶体的特殊情况。辉长岩被视为一个相等的无面晶体,而斜长石是有面晶体,我们的处理一般适用于这种组合。天然岩石样品中形成的三粒结通常有两种不同的类型。其中一个,两个辉长石斜长石界面以相反的曲率向对方生长,而第二个界面的曲率具有相同的标志,形成了一种独特的形态,我们称之为鹰嘴。本文提供了一个理论框架来解释这两种形态,基于界面生长动力学。
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引用次数: 0
A unified and constructive framework for the universality of neural networks 为神经网络的普遍性提供了一个统一的、建设性的框架
4区 数学 Q2 MATHEMATICS, APPLIED Pub Date : 2023-11-11 DOI: 10.1093/imamat/hxad032
Tan Bui-Thanh
Abstract One of the reasons why many neural networks are capable of replicating complicated tasks or functions is their universal approximation property. Though the past few decades have seen tremendous advances in theories of neural networks, a single constructive and elementary framework for neural network universality remains unavailable. This paper is an effort to provide a unified and constructive framework for the universality of a large class of activation functions including most of the existing ones. At the heart of the framework is the concept of neural network approximate identity (nAI). The main result is: any nAI activation function is universal in the space of continuous functions on compacta. It turns out that most of the existing activation functions are nAI, and thus universal. The framework induces several advantages over the contemporary counterparts. First, it is constructive with elementary means from functional analysis, probability theory, and numerical analysis. Second, it is one of the first unified and constructive attempts that is valid for most of the existing activation functions. Third, it provides new proofs for most activation functions. Fourth, for a given activation and error tolerance, the framework provides precisely the architecture of the corresponding one-hidden neural network with a predetermined number of neurons and the values of weights/biases. Fifth, the framework allows us to abstractly present the first universal approximation with a favorable non-asymptotic rate. Sixth, our framework also provides insights into the developments, and hence providing constructive derivations, of some of the existing approaches.
许多神经网络能够复制复杂任务或函数的原因之一是它们的普遍近似性质。尽管在过去的几十年里,神经网络理论取得了巨大的进步,但仍然没有一个单一的、建设性的、基本的神经网络普适性框架。本文试图为包括大多数现有激活函数在内的一类激活函数的普适性提供一个统一的、建设性的框架。该框架的核心是神经网络近似恒等式(nAI)的概念。主要结果是:任何nAI激活函数在紧网络上的连续函数空间中都是泛的。事实证明,大多数现有的激活函数都是nAI,因此是通用的。这个框架比同时代的框架有几个优点。首先,它是建设性的,从泛函分析,概率论和数值分析的初等手段。其次,它是对大多数现有激活函数有效的第一个统一的和建设性的尝试之一。第三,为大多数激活函数提供了新的证明。第四,对于给定的激活和容错性,该框架精确地提供了具有预定数量的神经元和权重/偏差值的相应单隐神经网络的体系结构。第五,该框架允许我们抽象地提出具有有利的非渐近速率的第一个普遍近似。第六,我们的框架还提供了对发展的见解,并因此提供了一些现有方法的建设性衍生。
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引用次数: 0
A Reduced Landau-de Gennes Study for Nematic Equilibria in Three-Dimensional Prisms 三维棱镜中向列平衡的简化Landau-de Gennes研究
4区 数学 Q2 MATHEMATICS, APPLIED Pub Date : 2023-11-08 DOI: 10.1093/imamat/hxad031
Yucen Han, Baoming Shi, Lei Zhang, Apala Majumdar
Abstract We model nematic liquid crystal configurations inside three-dimensional prisms, with a polygonal cross-section and Dirichlet boundary conditions on all prism surfaces. We work in a reduced Landau-de Gennes framework, and the Dirichlet conditions on the top and bottom surfaces are special in the sense, that they are critical points of the reduced Landau-de Gennes energy on the polygonal cross-section. The choice of the boundary conditions allows us to make a direct correspondence between the three-dimensional Landau-de Gennes critical points and pathways on the two-dimensional Landau-de Gennes solution landscape on the polygonal cross-section. We explore this concept by means of asymptotic analysis and numerical examples, with emphasis on a cuboid and a hexagonal prism, focusing on three-dimensional multistability tailored by two-dimensional solution landscapes.
采用多边形截面和Dirichlet边界条件对三维棱镜内的向列液晶结构进行建模。我们在一个简化的朗多-德-热讷框架中工作,上下表面上的狄利克雷条件在某种意义上是特殊的,它们是多边形截面上朗多-德-热讷能简化的临界点。边界条件的选择使我们能够在多边形截面上的二维朗多-德-热纳解景观上的三维朗多-德-热纳临界点和路径之间建立直接对应关系。我们通过渐近分析和数值例子来探索这一概念,重点是长方体和六边形棱镜,重点是二维解景观定制的三维多稳定性。
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引用次数: 1
Initial-boundary value problem for a fractional heat equation on an interval 区间上分数阶热方程的初边值问题
4区 数学 Q2 MATHEMATICS, APPLIED Pub Date : 2023-11-04 DOI: 10.1093/imamat/hxad029
Y Peña Pérez, J Sánchez Ortíz, F J Ariza Hernández, M P Árciga Alejandre
Abstract In this paper, we study a Dirichlet problem for a fractional heat equation, with spacial fractional derivative in the sense of Riemann–Liouville on a finite interval. The main ideas of Fokas method is employed, where the Lax pairs are used to obtain an integral representation of solutions.
研究了一类分数阶热方程的Dirichlet问题,该方程在有限区间上具有Riemann-Liouville意义上的空间分数阶导数。采用Fokas方法的主要思想,利用Lax对得到解的积分表示。
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引用次数: 0
Application of the topological sensitivity method to the detection of Breast cancer 拓扑灵敏度法在乳腺癌检测中的应用
4区 数学 Q2 MATHEMATICS, APPLIED Pub Date : 2023-10-23 DOI: 10.1093/imamat/hxad028
Sabeur Mansouri, Mohamed BenSalah
Abstract This paper is concerned with an approach based on the topological sensitivity notion to solve a geometric inverse problem for a linear wave equation. The considered inverse problem is motivated by elastography. More precisely, the modeling of our application system has been aimed toward the detection of a breast tumor, in particular, and to enable the calculation of the tumor size, location, and type. We start our analysis by rephrasing the considered inverse problem as an optimization one minimizing an energy cost functional. We establish an estimation describing the asymptotic behavior of the wave equation solution with respect to the presence of a small tumor in the breast which plays an important role in the derivation of a topological asymptotic formula for the considered cost function. Based on the derived theoretical results, we have developed a numerical algorithm for solving our inverse problem, which requires only one iteration. Some numerical experiments are presented to point out the efficiency and accuracy of the proposed approach.
摘要本文研究了一种基于拓扑灵敏度概念的线性波动方程几何逆问题的求解方法。所考虑的逆问题是由弹性学驱动的。更准确地说,我们的应用系统的建模是针对乳腺肿瘤的检测,特别是能够计算肿瘤的大小、位置和类型。我们通过将考虑的逆问题重新表述为最小化能量成本函数的优化问题来开始我们的分析。我们建立了一个描述波动方程解的渐近行为的估计,该估计在推导所考虑的代价函数的拓扑渐近公式中起着重要作用。基于导出的理论结果,我们开发了一种只需要一次迭代的数值算法来求解我们的反问题。数值实验表明了该方法的有效性和准确性。
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引用次数: 0
The feasibility and inevitability of stealth attacks 隐身攻击的可行性和必然性
4区 数学 Q2 MATHEMATICS, APPLIED Pub Date : 2023-10-19 DOI: 10.1093/imamat/hxad027
Ivan Yu. Tyukin, Desmond J. Higham, Eliyas Woldegeorgis, Alexander N. Gorban
Abstract We develop and study new adversarial perturbations that enable an attacker to gain control over decisions in generic Artificial Intelligence (AI) systems including deep learning neural networks. In contrast to adversarial data modification, the attack mechanism we consider here involves alterations to the AI system itself. Such a stealth attack could be conducted by a mischievous, corrupt or disgruntled member of a software development team. It could also be made by those wishing to exploit a “democratization of AI” agenda, where network architectures and trained parameter sets are shared publicly. We develop a range of new implementable attack strategies with accompanying analysis, showing that with high probability a stealth attack can be made transparent, in the sense that system performance is unchanged on a fixed validation set which is unknown to the attacker, while evoking any desired output on a trigger input of interest. The attacker only needs to have estimates of the size of the validation set and the spread of the AI’s relevant latent space. In the case of deep learning neural networks, we show that a one neuron attack is possible—a modification to the weights and bias associated with a single neuron—revealing a vulnerability arising from over-parameterization. We illustrate these concepts using state of the art architectures on two standard image data sets. Guided by the theory and computational results, we also propose strategies to guard against stealth attacks.
我们开发和研究了新的对抗性扰动,使攻击者能够控制包括深度学习神经网络在内的通用人工智能(AI)系统中的决策。与对抗性数据修改相反,我们在这里考虑的攻击机制涉及对AI系统本身的改变。这样的秘密攻击可能由软件开发团队中一个淘气的、腐败的或心怀不满的成员进行。它也可以由那些希望利用“人工智能民主化”议程的人制作,其中网络架构和训练参数集是公开共享的。我们开发了一系列新的可实现的攻击策略,并附带了分析,表明在高概率下,隐形攻击可以变得透明,从某种意义上说,系统性能在攻击者未知的固定验证集上保持不变,同时在感兴趣的触发输入上调用任何所需的输出。攻击者只需要估计验证集的大小和人工智能相关潜在空间的分布。在深度学习神经网络的情况下,我们表明单神经元攻击是可能的-修改与单个神经元相关的权重和偏差-揭示了过度参数化引起的脆弱性。我们在两个标准图像数据集上使用最先进的体系结构来说明这些概念。在理论和计算结果的指导下,提出了防范隐身攻击的策略。
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引用次数: 13
期刊
IMA Journal of Applied Mathematics
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