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Gradient-free optimization via integration 通过整合实现无梯度优化
Pub Date : 2024-08-01 DOI: arxiv-2408.00888
Christophe Andrieu, Nicolas Chopin, Ettore Fincato, Mathieu Gerber
In this paper we propose a novel, general purpose, algorithm to optimizefunctions $lcolon mathbb{R}^d rightarrow mathbb{R}$ not assumed to beconvex or differentiable or even continuous. The main idea is to sequentiallyfit a sequence of parametric probability densities, possessing a concentrationproperty, to $l$ using a Bayesian update followed by a reprojection back ontothe chosen parametric sequence. Remarkably, with the sequence chosen to be fromthe exponential family, reprojection essentially boils down to the computationof expectations. Our algorithm therefore lends itself to Monte Carloapproximation, ranging from plain to Sequential Monte Carlo (SMC) methods. The algorithm is therefore particularly simple to implement and we illustrateperformance on a challenging Machine Learning classification problem. Ourmethodology naturally extends to the scenario where only noisy measurements of$l$ are available and retains ease of implementation and performance. At atheoretical level we establish, in a fairly general scenario, that ourframework can be viewed as implicitly implementing a time inhomogeneousgradient descent algorithm on a sequence of smoothed approximations of $l$.This opens the door to establishing convergence of the algorithm and providetheoretical guarantees. Along the way, we establish new results forinhomogeneous gradient descent algorithms of independent interest.
在本文中,我们提出了一种新颖的、通用的算法来优化函数$lcolon mathbb{R}^d rightarrow mathbb{R}$,该算法不假定函数是凸的或可微的,甚至是连续的。其主要思路是利用贝叶斯更新,将具有集中属性的参数概率密度序列依次拟合到 $l$,然后再投影回所选的参数序列。值得注意的是,如果选择的序列来自指数族,重投影基本上可以归结为期望值的计算。因此,我们的算法适用于蒙特卡罗逼近,包括普通蒙特卡罗方法和序列蒙特卡罗(SMC)方法。因此,该算法的实现特别简单,我们在一个具有挑战性的机器学习分类问题上展示了该算法的性能。我们的方法可以自然地扩展到只有对$l$的噪声测量的情况,并且保持了实施的简便性和性能。在理论层面,我们在一个相当普遍的场景中建立了我们的框架,该框架可被视为在$l$的平滑近似值序列上隐式地实现了时间不均匀梯度下降算法。在此过程中,我们建立了具有独立意义的非均质梯度下降算法的新结果。
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引用次数: 0
Within-vector viral dynamics challenges how to model the extrinsic incubation period for major arboviruses: dengue, Zika, and chikungunya 病媒内病毒动态对如何模拟登革热、寨卡和基孔肯雅等主要虫媒病毒的外在潜伏期提出了挑战
Pub Date : 2024-08-01 DOI: arxiv-2408.00409
Léa Loisel, Vincent Raquin, Maxime Ratinier, Pauline Ezanno, Gaël Beaunée
Arboviruses represent a significant threat to human, animal, and plant healthworldwide. To elucidate transmission, anticipate their spread and efficientlycontrol them, mechanistic modelling has proven its usefulness. However, mostmodels rely on assumptions about how the extrinsic incubation period (EIP) isrepresented: the intra-vector viral dynamics (IVD), occurring during the EIP,is approximated by a single state. After an average duration, all exposedvectors become infectious. Behind this are hidden two strong hypotheses: (i)EIP is exponentially distributed in the vector population; (ii) virusessuccessfully cross the infection, dissemination, and transmission barriers inall exposed vectors. To assess these hypotheses, we developed a stochasticcompartmental model which represents successive IVD stages, associated to thecrossing or not of these three barriers. We calibrated the model using anABC-SMC (Approximate Bayesian Computation - Sequential Monte Carlo) method withmodel selection. We systematically searched for literature data on experimentalinfections of Aedes mosquitoes infected by either dengue, chikungunya, or Zikaviruses. We demonstrated the discrepancy between the exponential hypothesis andobserved EIP distributions for dengue and Zika viruses and identified morerelevant EIP distributions . We also quantified the fraction of infectedmosquitoes eventually becoming infectious, highlighting that often only a smallfraction crosses the three barriers. This work provides a generic modellingframework applicable to other arboviruses for which similar data are available.Our model can also be coupled to population-scale models to aid futurearbovirus control.
虫媒病毒对全球人类、动物和植物的健康构成重大威胁。为了阐明其传播途径、预测其传播并有效控制其传播,机理模型已被证明是非常有用的。然而,大多数模型都依赖于关于如何表示外在潜伏期(EIP)的假设:在 EIP 期间发生的媒介内病毒动态(IVD)近似于单一状态。在一个平均持续时间之后,所有暴露的病媒都具有传染性。这背后隐藏着两个强有力的假设:(i) EIP 在病媒种群中呈指数分布;(ii) 病毒在所有暴露的病媒中都能成功跨越感染、传播和传播障碍。为了评估这些假设,我们建立了一个随机区室模型,该模型表示了与是否跨越这三个障碍相关的连续 IVD 阶段。我们使用具有模型选择功能的近似贝叶斯计算-序列蒙特卡洛(ABC-SMC)方法对模型进行了校准。我们系统地搜索了伊蚊感染登革热、基孔肯雅或齐卡病毒的实验数据。我们证明了登革热和寨卡病毒的指数假说与观察到的 EIP 分布之间的差异,并确定了更相关的 EIP 分布。我们还量化了最终成为传染源的受感染蚊子的比例,并强调通常只有一小部分蚊子能跨越三道屏障。这项工作提供了一个通用的建模框架,适用于有类似数据的其他虫媒病毒。
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引用次数: 0
Supervised brain node and network construction under voxel-level functional imaging 体素级功能成像下的有监督大脑节点和网络构建
Pub Date : 2024-07-30 DOI: arxiv-2407.21242
Wanwan Xu, Selena Wang, Chichun Tan, Xilin Shen, Wenjing Luo, Todd Constable, Tianxi Li, Yize Zhao
Recent advancements in understanding the brain's functional organizationrelated to behavior have been pivotal, particularly in the development ofpredictive models based on brain connectivity. Traditional methods in thisdomain often involve a two-step process by first constructing a connectivitymatrix from predefined brain regions, and then linking these connections tobehaviors or clinical outcomes. However, these approaches with unsupervisednode partitions predict outcomes inefficiently with independently establishedconnectivity. In this paper, we introduce the Supervised Brain Parcellation(SBP), a brain node parcellation scheme informed by the downstream predictivetask. With voxel-level functional time courses generated under resting-state orcognitive tasks as input, our approach clusters voxels into nodes in a mannerthat maximizes the correlation between inter-node connections and thebehavioral outcome, while also accommodating intra-node homogeneity. Werigorously evaluate the SBP approach using resting-state and task-based fMRIdata from both the Adolescent Brain Cognitive Development (ABCD) study and theHuman Connectome Project (HCP). Our analyses show that SBP significantlyimproves out-of-sample connectome-based predictive performance compared toconventional step-wise methods under various brain atlases. This advancementholds promise for enhancing our understanding of brain functional architectureswith behavior and establishing more informative network neuromarkers forclinical applications.
最近,在理解与行为相关的大脑功能组织方面取得了举足轻重的进展,尤其是在开发基于大脑连接性的预测模型方面。这一领域的传统方法通常包括两个步骤:首先从预定义的脑区构建连接矩阵,然后将这些连接与行为或临床结果联系起来。然而,这些采用无监督节点分区的方法在独立建立连接性的情况下预测结果的效率很低。在本文中,我们介绍了 "监督脑节点划分"(Supervised Brain Parcellation,SBP),这是一种由下游预测任务提供信息的脑节点划分方案。以静息态或认知任务下生成的体素级功能时程为输入,我们的方法将体素聚类为节点,使节点间连接与行为结果之间的相关性最大化,同时也兼顾了节点内的同质性。我们使用青少年大脑认知发展(ABCD)研究和人类连接组计划(HCP)的静息态和任务型 fMRI 数据对 SBP 方法进行了评估。我们的分析表明,在各种脑图谱下,与传统的分步法相比,SBP 能显著提高基于连接组的样本外预测性能。这一进步有望增强我们对大脑功能结构与行为的理解,并为临床应用建立更多信息丰富的网络神经标记。
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引用次数: 0
Multilevel Monte Carlo in Sample Average Approximation: Convergence, Complexity and Application 抽样平均逼近中的多级蒙特卡罗:收敛性、复杂性与应用
Pub Date : 2024-07-26 DOI: arxiv-2407.18504
Devang Sinha, Siddhartha P. Chakrabarty
In this paper, we examine the Sample Average Approximation (SAA) procedurewithin a framework where the Monte Carlo estimator of the expectation isbiased. We also introduce Multilevel Monte Carlo (MLMC) in the SAA setup toenhance the computational efficiency of solving optimization problems. In thiscontext, we conduct a thorough analysis, exploiting Cram'er's large deviationtheory, to establish uniform convergence, quantify the convergence rate, anddetermine the sample complexity for both standard Monte Carlo and MLMCparadigms. Additionally, we perform a root-mean-squared error analysisutilizing tools from empirical process theory to derive sample complexitywithout relying on the finite moment condition typically required for uniformconvergence results. Finally, we validate our findings and demonstrate theadvantages of the MLMC estimator through numerical examples, estimatingConditional Value-at-Risk (CVaR) in the Geometric Brownian Motion and nestedexpectation framework.
在本文中,我们在蒙特卡罗期望估计器有偏差的框架下研究了样本平均逼近(SAA)程序。我们还在 SAA 设置中引入了多级蒙特卡罗(MLMC),以提高解决优化问题的计算效率。在此背景下,我们利用克拉姆(Cram'er)的大偏差理论(large deviationtheory)进行了深入分析,为标准蒙特卡罗和 MLMC 范式建立了均匀收敛性、量化了收敛速率并确定了样本复杂度。此外,我们还利用经验过程理论的工具进行了均方根误差分析,得出了样本复杂度,而无需依赖均匀收敛结果通常需要的有限矩条件。最后,我们通过数值示例验证了我们的发现,并证明了 MLMC 估计器的优势,即在几何布朗运动和嵌套期望框架下估计条件风险值(CVaR)。
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引用次数: 0
Multi-physics Simulation Guided Generative Diffusion Models with Applications in Fluid and Heat Dynamics 多物理场仿真指导下的生成扩散模型在流体和热动力学中的应用
Pub Date : 2024-07-25 DOI: arxiv-2407.17720
Naichen Shi, Hao Yan, Shenghan Guo, Raed Al Kontar
In this paper, we present a generic physics-informed generative model calledMPDM that integrates multi-fidelity physics simulations with diffusion models.MPDM categorizes multi-fidelity physics simulations into inexpensive andexpensive simulations, depending on computational costs. The inexpensivesimulations, which can be obtained with low latency, directly inject contextualinformation into DDMs. Furthermore, when results from expensive simulations areavailable, MPDM refines the quality of generated samples via a guided diffusionprocess. This design separates the training of a denoising diffusion model fromphysics-informed conditional probability models, thus lending flexibility topractitioners. MPDM builds on Bayesian probabilistic models and is equippedwith a theoretical guarantee that provides upper bounds on the Wassersteindistance between the sample and underlying true distribution. The probabilisticnature of MPDM also provides a convenient approach for uncertaintyquantification in prediction. Our models excel in cases where physicssimulations are imperfect and sometimes inaccessible. We use a numericalsimulation in fluid dynamics and a case study in heat dynamics withinlaser-based metal powder deposition additive manufacturing to demonstrate howMPDM seamlessly integrates multi-idelity physics simulations and observationsto obtain surrogates with superior predictive performance.
在本文中,我们提出了一种名为 MPDM 的通用物理信息生成模型,它将多保真度物理模拟与扩散模型集成在一起。MPDM 根据计算成本的不同,将多保真度物理模拟分为廉价模拟和昂贵模拟。廉价模拟可以在较低的延迟时间内获得,并直接将上下文信息注入 DDM。此外,当昂贵的模拟结果可用时,MPDM 会通过引导扩散过程来改进生成样本的质量。这种设计将去噪扩散模型的训练从物理信息条件概率模型中分离出来,从而为实践者提供了灵活性。MPDM 建立在贝叶斯概率模型的基础上,具有理论保证,为样本与底层真实分布之间的瓦瑟斯特距离提供了上限。MPDM 的概率性质还为预测中的不确定性量化提供了便捷的方法。我们的模型在物理模拟不完善、有时无法进入的情况下表现出色。我们利用流体动力学数值模拟和基于激光的金属粉末沉积快速成型制造中的热动力学案例研究,展示了 MPDM 如何无缝集成多保真度物理模拟和观测,从而获得具有卓越预测性能的替代模型。
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引用次数: 0
Explicit convergence rates of underdamped Langevin dynamics under weighted and weak Poincaré--Lions inequalities 加权和弱 Poincaré--Lions 不等式下的欠阻尼 Langevin 动力学的显式收敛率
Pub Date : 2024-07-22 DOI: arxiv-2407.16033
Giovanni Brigati, Gabriel Stoltz, Andi Q. Wang, Lihan Wang
We study the long-time convergence behavior of underdamped Langevin dynamics,when the spatial equilibrium satisfies a weighted Poincar'e inequality, with ageneral velocity distribution, which allows for fat-tail or subexponentialpotential energies, and provide constructive and fully explicit estimates in$mathrm{L}^2$-norm with $mathrm{L}^infty$ initial conditions. A keyingredient is a space-time weighted Poincar'e--Lions inequality, which in turnimplies a weak Poincar'e--Lions inequality.
我们研究了当空间平衡满足加权Poincar'e 不等式时,欠阻尼朗格文动力学的长期收敛行为,该不等式具有一般的速度分布,允许胖尾或亚指数势能,并在$mathrm{L}^2$-norm 条件下提供了建设性和完全显式的估计,初始条件为$mathrm{L}^infty$。其中一个关键因素是时空加权的 Poincar'e--Lions 不等式,而这又意味着弱 Poincar'e--Lions 不等式。
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引用次数: 0
Studying the Performance of the Jellyfish Search Optimiser for the Application of Projection Pursuit 研究水母搜索优化器在投影追寻应用中的性能
Pub Date : 2024-07-18 DOI: arxiv-2407.13663
H. Sherry Zhang, Dianne Cook, Nicolas Langrené, Jessica Wai Yin Leung
The projection pursuit (PP) guided tour interactively optimises a criteriafunction known as the PP index, to explore high-dimensional data by revealinginteresting projections. The optimisation in PP can be non-trivial, involvingnon-smooth functions and optima with a small squint angle, detectable only fromclose proximity. To address these challenges, this study investigates theperformance of a recently introduced swarm-based algorithm, Jellyfish SearchOptimiser (JSO), for optimising PP indexes. The performance of JSO forvisualising data is evaluated across various hyper-parameter settings andcompared with existing optimisers. Additionally, this work proposes novelmethods to quantify two properties of the PP index, smoothness andsquintability that capture the complexities inherent in PP optimisationproblems. These two metrics are evaluated along with JSO hyper-parameters todetermine their effects on JSO success rate. Our numerical results confirm thepositive impact of these metrics on the JSO success rate, with squintabilitybeing the most significant. The JSO algorithm has been implemented in the tourrpackage and functions to calculate smoothness and squintability are availablein the ferrn package.
投影追寻(PP)导览以交互方式优化称为 PP 指数的标准函数,通过揭示有趣的投影来探索高维数据。投影追寻中的优化过程可能并不复杂,会涉及非光滑函数和眯眼角度较小的最优点,只能从近距离探测到。为了应对这些挑战,本研究对最近推出的基于蜂群的算法水母搜索优化器(JSO)的性能进行了研究,以优化 PP 索引。研究评估了 JSO 在不同超参数设置下的数据可视化性能,并与现有优化器进行了比较。此外,这项工作还提出了新方法来量化 PP 指数的两个属性,即平滑性和可量化性,这两个属性捕捉了 PP 优化问题固有的复杂性。我们对这两个指标以及 JSO 超参数进行了评估,以确定它们对 JSO 成功率的影响。我们的数值结果证实了这些指标对 JSO 成功率的积极影响,其中斜视性最为显著。JSO 算法已在 tourr 包中实现,计算平滑度和斜视度的函数可在 ferrn 包中获得。
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引用次数: 0
Evaluating the evolution and inter-individual variability of infant functional module development from 0 to 5 years old 评估 0 至 5 岁婴儿功能模块发展的演变和个体间差异
Pub Date : 2024-07-18 DOI: arxiv-2407.13118
Lingbin Bian, Nizhuan Wang, Yuanning Li, Adeel Razi, Qian Wang, Han Zhang, Dinggang Shen, the UNC/UMN Baby Connectome Project Consortium
The segregation and integration of infant brain networks undergo tremendouschanges due to the rapid development of brain function and organization.Traditional methods for estimating brain modularity usually rely ongroup-averaged functional connectivity (FC), often overlooking individualvariability. To address this, we introduce a novel approach utilizing Bayesianmodeling to analyze the dynamic development of functional modules in infantsover time. This method retains inter-individual variability and, in comparisonto conventional group averaging techniques, more effectively detects modules,taking into account the stationarity of module evolution. Furthermore, weexplore gender differences in module development under awake and sleepconditions by assessing modular similarities. Our results show that femaleinfants demonstrate more distinct modular structures between these twoconditions, possibly implying relative quiet and restful sleep compared withmale infants.
由于大脑功能和组织的快速发展,婴儿大脑网络的分离和整合发生了巨大的变化。传统的大脑模块性估计方法通常依赖于组平均功能连接性(FC),往往忽略了个体的可变性。为了解决这个问题,我们引入了一种新方法,利用贝叶斯模型来分析婴儿功能模块随时间的动态发展。这种方法保留了个体间的可变性,与传统的组平均技术相比,能更有效地检测模块,同时考虑到模块演变的静态性。此外,我们还通过评估模块的相似性,探讨了清醒和睡眠条件下模块发展的性别差异。我们的结果表明,女婴在这两种条件下表现出更明显的模块结构,这可能意味着与男婴相比,女婴的睡眠相对安静和安稳。
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引用次数: 0
Examining inverse generative social science to study targets of interest 考察逆生成社会科学,研究感兴趣的目标
Pub Date : 2024-07-18 DOI: arxiv-2407.13474
Thomas Chesney, Asif Jaffer, Robert Pasley
We assess an emerging simulation research method -- Inverse Generative SocialScience (IGSS) citep{Epstein23a} -- that harnesses the power of evolution bynatural selection to model and explain complex targets. Drawing on a review of recent papers that use IGSS, and by applying it in twodifferent studies of conflict, we here assess its potential both as a modellingapproach and as formal theory. We find that IGSS has potential for research in studies of organistions. IGSSoffers two huge advantages over most other approaches to modelling. 1) IGSS hasthe potential to fit complex non-linear models to a target and 2) the modelshave the potential to be interpreted as social theory. The paper presents IGSS to a new audience, illustrates how it can contribute,and provides software that can be used as a basis of an IGSS study.
我们评估了一种新兴的模拟研究方法--逆生成社会科学(Inverse Generative SocialScience,IGSS)--它利用自然选择进化的力量来模拟和解释复杂的目标。通过对近期使用 IGSS 的论文进行回顾,并将其应用于两项不同的冲突研究,我们在此评估了 IGSS 作为建模方法和形式理论的潜力。我们发现,IGSS 在组织研究方面具有潜力。与大多数其他建模方法相比,IGSS 具有两个巨大优势。1)IGSS 具有将复杂的非线性模型与目标相匹配的潜力;2)模型具有被解释为社会理论的潜力。本文向新读者介绍了 IGSS,说明了 IGSS 的贡献,并提供了可用作 IGSS 研究基础的软件。
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引用次数: 0
LASPATED: A Library for the Analysis of Spatio-Temporal Discrete Data (User Manual) LASPATED:时空离散数据分析库(用户手册)
Pub Date : 2024-07-18 DOI: arxiv-2407.13889
Vincent Guigues, Anton J. Kleywegt, Giovanni Amorim, Andre Krauss, Victor Hugo Nascimento
This is the User Manual of LASPATED library. This library is available onGitHub (at https://github.com/vguigues/LASPATED)) and provides a set of toolsto analyze spatiotemporal data. A video tutorial for this library is availableon Youtube. It is made of a Python package for time and space discretizationsand of two packages (one in Matlab and one in C++) implementing the calibrationof the probabilistic models for stochastic spatio-temporal data proposed in thecompanion paper arXiv:2203.16371v2.
这是 LASPATED 库的用户手册。该库可在 GitHub 上下载(网址:https://github.com/vguigues/LASPATED),提供了一套分析时空数据的工具。Youtube 上有该库的视频教程。它由一个用于时间和空间离散化的 Python 软件包和两个软件包(一个是 Matlab 软件包,一个是 C++ 软件包)组成,这两个软件包分别实现了论文 arXiv:2203.16371v2 中提出的随机时空数据概率模型的校准。
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引用次数: 0
期刊
arXiv - STAT - Computation
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