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Sparse Bayesian learning using TMB (Template Model Builder) 使用 TMB(模板模型生成器)进行稀疏贝叶斯学习
IF 2.2 2区 数学 Q2 COMPUTER SCIENCE, THEORY & METHODS Pub Date : 2024-08-28 DOI: 10.1007/s11222-024-10476-8
Ingvild M. Helgøy, Hans J. Skaug, Yushu Li

Sparse Bayesian Learning, and more specifically the Relevance Vector Machine (RVM), can be used in supervised learning for both classification and regression problems. Such methods are particularly useful when applied to big data in order to find a sparse (in weight space) representation of the model. This paper demonstrates that the Template Model Builder (TMB) is an accurate and flexible computational framework for implementation of sparse Bayesian learning methods.The user of TMB is only required to specify the joint likelihood of the weights and the data, while the Laplace approximation of the marginal likelihood is automatically evaluated to numerical precision. This approximation is in turn used to estimate hyperparameters by maximum marginal likelihood. In order to reduce the computational cost of the Laplace approximation we introduce the notion of an “active set” of weights, and we devise an algorithm for dynamically updating this set until convergence, similar to what is done in other RVM type methods. We implement two different methods using TMB; the RVM and the Probabilistic Feature Selection and Classification Vector Machine method, where the latter also performs feature selection. Experiments based on benchmark data show that our TMB implementation performs comparable to that of the original implementation, but at a lower implementation cost. TMB can also calculate model and prediction uncertainty, by including estimation uncertainty from both latent variables and the hyperparameters. In conclusion, we find that TMB is a flexible tool that facilitates implementation and prototyping of sparse Bayesian methods.

稀疏贝叶斯学习,更具体地说是相关向量机(RVM),可用于分类和回归问题的监督学习。这种方法在应用于大数据时特别有用,可以找到模型的稀疏(权重空间)表示。本文证明了模板模型生成器(TMB)是实现稀疏贝叶斯学习方法的精确而灵活的计算框架。TMB 的用户只需指定权重和数据的联合似然,而边际似然的拉普拉斯近似值会自动评估到数字精度。这个近似值反过来又被用于用最大边际似然估计超参数。为了降低拉普拉斯近似的计算成本,我们引入了权重 "活动集 "的概念,并设计了一种动态更新权重集直至收敛的算法,这与其他 RVM 类型的方法类似。我们使用 TMB 实现了两种不同的方法:RVM 和概率特征选择与分类向量机方法,其中后者还执行特征选择。基于基准数据的实验表明,我们的 TMB 实现方法与原始实现方法性能相当,但实现成本更低。TMB 还能计算模型和预测的不确定性,包括潜在变量和超参数的估计不确定性。总之,我们发现 TMB 是一种灵活的工具,有助于稀疏贝叶斯方法的实现和原型设计。
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引用次数: 0
A new maximum mean discrepancy based two-sample test for equal distributions in separable metric spaces 基于最大均值差异的新的可分离度量空间等分布双样本检验法
IF 2.2 2区 数学 Q2 COMPUTER SCIENCE, THEORY & METHODS Pub Date : 2024-08-25 DOI: 10.1007/s11222-024-10483-9
Bu Zhou, Zhi Peng Ong, Jin-Ting Zhang

This paper presents a novel two-sample test for equal distributions in separable metric spaces, utilizing the maximum mean discrepancy (MMD). The test statistic is derived from the decomposition of the total variation of data in the reproducing kernel Hilbert space, and can be regarded as a V-statistic-based estimator of the squared MMD. The paper establishes the asymptotic null and alternative distributions of the test statistic. To approximate the null distribution accurately, a three-cumulant matched chi-squared approximation method is employed. The parameters for this approximation are consistently estimated from the data. Additionally, the paper introduces a new data-adaptive method based on the median absolute deviation to select the kernel width of the Gaussian kernel, and a new permutation test combining two different Gaussian kernel width selection methods, which improve the adaptability of the test to different data sets. Fast implementation of the test using matrix calculation is discussed. Extensive simulation studies and three real data examples are presented to demonstrate the good performance of the proposed test.

本文提出了一种利用最大均值差异(MMD)对可分离度量空间中的等分布进行双样本检验的新方法。检验统计量来自再现核希尔伯特空间中数据总变化的分解,可视为基于 V 统计量的 MMD 平方估计量。本文建立了检验统计量的渐近零分布和替代分布。为了准确地近似零分布,本文采用了一种三积匹配卡方近似方法。这种近似方法的参数是根据数据一致估计出来的。此外,本文还引入了一种基于中位绝对偏差的新数据适应性方法来选择高斯核的核宽度,以及一种结合了两种不同高斯核宽度选择方法的新 permutation 检验,从而提高了检验对不同数据集的适应性。还讨论了利用矩阵计算快速实现检验的问题。此外,还介绍了大量仿真研究和三个真实数据示例,以证明所提出的测试具有良好的性能。
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引用次数: 0
Wasserstein principal component analysis for circular measures 用于循环测量的瓦瑟斯坦主成分分析法
IF 2.2 2区 数学 Q2 COMPUTER SCIENCE, THEORY & METHODS Pub Date : 2024-08-24 DOI: 10.1007/s11222-024-10473-x
Mario Beraha, Matteo Pegoraro

We consider the 2-Wasserstein space of probability measures supported on the unit-circle, and propose a framework for Principal Component Analysis (PCA) for data living in such a space. We build on a detailed investigation of the optimal transportation problem for measures on the unit-circle which might be of independent interest. In particular, building on previously obtained results, we derive an expression for optimal transport maps in (almost) closed form and propose an alternative definition of the tangent space at an absolutely continuous probability measure, together with fundamental characterizations of the associated exponential and logarithmic maps. PCA is performed by mapping data on the tangent space at the Wasserstein barycentre, which we approximate via an iterative scheme, and for which we establish a sufficient a posteriori condition to assess its convergence. Our methodology is illustrated on several simulated scenarios and a real data analysis of measurements of optical nerve thickness.

我们考虑了单位圆上支持的概率度量的 2-Wasserstein 空间,并为生活在这样一个空间中的数据提出了一个主成分分析(PCA)框架。我们以对单位圆上度量的最优传输问题的详细研究为基础,这可能会引起独立的兴趣。特别是,在之前所获结果的基础上,我们推导出了(几乎)闭合形式的最优传输映射表达式,并提出了绝对连续概率度量切线空间的替代定义,以及相关指数映射和对数映射的基本特征。PCA 是通过映射瓦瑟施泰因原点切线空间上的数据来实现的,我们通过迭代方案对其进行近似,并为此建立了充分的后验条件来评估其收敛性。我们将在几个模拟场景和光学神经厚度测量的真实数据分析中说明我们的方法。
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引用次数: 0
Individualized causal mediation analysis with continuous treatment using conditional generative adversarial networks 利用条件生成对抗网络对连续治疗进行个性化因果中介分析
IF 2.2 2区 数学 Q2 COMPUTER SCIENCE, THEORY & METHODS Pub Date : 2024-08-23 DOI: 10.1007/s11222-024-10484-8
Cheng Huan, Xinyuan Song, Hongwei Yuan

Traditional methods used in causal mediation analysis with continuous treatment often focus on estimating average causal effects, limiting their applicability in precision medicine. Machine learning techniques have emerged as a powerful approach for precisely estimating individualized causal effects. This paper proposes a novel method called CGAN-ICMA-CT that leverages Conditional Generative Adversarial Networks (CGANs) to infer individualized causal effects with continuous treatment. We thoroughly investigate the convergence properties of CGAN-ICMA-CT and show that the estimated distribution of our inferential conditional generator converges to the true conditional distribution under mild conditions. We conduct numerical experiments to validate the effectiveness of CGAN-ICMA-CT and compare it with four commonly used methods: linear regression, support vector machine regression, decision tree, and random forest regression. The results demonstrate that CGAN-ICMA-CT outperforms these methods regarding accuracy and precision. Furthermore, we apply the CGAN-ICMA-CT model to the real-world Job Corps dataset, showcasing its practical utility. By utilizing CGAN-ICMA-CT, we estimate the individualized causal effects of the Job Corps program on the number of arrests, providing insights into both direct effects and effects mediated through intermediate variables. Our findings confirm the potential of CGAN-ICMA-CT in advancing individualized causal mediation analysis with continuous treatment in precision medicine settings.

用于连续治疗因果中介分析的传统方法通常侧重于估计平均因果效应,这限制了它们在精准医疗中的适用性。机器学习技术已成为精确估计个体化因果效应的有力方法。本文提出了一种名为 CGAN-ICMA-CT 的新方法,它利用条件生成对抗网络(CGAN)来推断连续治疗的个体化因果效应。我们对 CGAN-ICMA-CT 的收敛特性进行了深入研究,结果表明,在温和条件下,推断条件生成器的估计分布会收敛到真实的条件分布。我们通过数值实验验证了 CGAN-ICMA-CT 的有效性,并将其与四种常用方法进行了比较:线性回归、支持向量机回归、决策树和随机森林回归。结果表明,CGAN-ICMA-CT 在准确度和精确度方面都优于这些方法。此外,我们还将 CGAN-ICMA-CT 模型应用于现实世界中的 Job Corps 数据集,展示了它的实用性。通过使用 CGAN-ICMA-CT,我们估算了就业指导中心项目对逮捕人数的个性化因果效应,从而深入了解了直接效应和通过中间变量中介的效应。我们的研究结果证实了 CGAN-ICMA-CT 在精准医疗环境下通过连续治疗推进个性化因果中介分析的潜力。
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引用次数: 0
Taming numerical imprecision by adapting the KL divergence to negative probabilities 通过调整 KL 分歧以适应负概率来控制数值不精确性
IF 2.2 2区 数学 Q2 COMPUTER SCIENCE, THEORY & METHODS Pub Date : 2024-08-13 DOI: 10.1007/s11222-024-10480-y
Simon Pfahler, Peter Georg, Rudolf Schill, Maren Klever, Lars Grasedyck, Rainer Spang, Tilo Wettig

The Kullback–Leibler (KL) divergence is frequently used in data science. For discrete distributions on large state spaces, approximations of probability vectors may result in a few small negative entries, rendering the KL divergence undefined. We address this problem by introducing a parameterized family of substitute divergence measures, the shifted KL (sKL) divergence measures. Our approach is generic and does not increase the computational overhead. We show that the sKL divergence shares important theoretical properties with the KL divergence and discuss how its shift parameters should be chosen. If Gaussian noise is added to a probability vector, we prove that the average sKL divergence converges to the KL divergence for small enough noise. We also show that our method solves the problem of negative entries in an application from computational oncology, the optimization of Mutual Hazard Networks for cancer progression using tensor-train approximations.

Kullback-Leibler (KL) 发散经常用于数据科学。对于大型状态空间上的离散分布,概率向量的近似可能会导致一些小的负条目,从而使 KL 发散无法定义。为了解决这个问题,我们引入了一个参数化的替代发散度量系列,即移位 KL(sKL)发散度量。我们的方法是通用的,不会增加计算开销。我们证明了 sKL 发散与 KL 发散具有相同的重要理论属性,并讨论了如何选择其移动参数。如果在概率向量中加入高斯噪声,我们证明在噪声足够小的情况下,平均 sKL 发散收敛于 KL 发散。我们还证明,我们的方法解决了计算肿瘤学应用中的负条目问题,即使用张量-列车近似优化癌症进展的相互危害网络。
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引用次数: 0
A Bayesian approach to modeling finite element discretization error 有限元离散化误差建模的贝叶斯方法
IF 2.2 2区 数学 Q2 COMPUTER SCIENCE, THEORY & METHODS Pub Date : 2024-08-09 DOI: 10.1007/s11222-024-10463-z
Anne Poot, Pierre Kerfriden, Iuri Rocha, Frans van der Meer

In this work, the uncertainty associated with the finite element discretization error is modeled following the Bayesian paradigm. First, a continuous formulation is derived, where a Gaussian process prior over the solution space is updated based on observations from a finite element discretization. To avoid the computation of intractable integrals, a second, finer, discretization is introduced that is assumed sufficiently dense to represent the true solution field. A prior distribution is assumed over the fine discretization, which is then updated based on observations from the coarse discretization. This yields a posterior distribution with a mean that serves as an estimate of the solution, and a covariance that models the uncertainty associated with this estimate. Two particular choices of prior are investigated: a prior defined implicitly by assigning a white noise distribution to the right-hand side term, and a prior whose covariance function is equal to the Green’s function of the partial differential equation. The former yields a posterior distribution with a mean close to the reference solution, but a covariance that contains little information regarding the finite element discretization error. The latter, on the other hand, yields posterior distribution with a mean equal to the coarse finite element solution, and a covariance with a close connection to the discretization error. For both choices of prior a contradiction arises, since the discretization error depends on the right-hand side term, but the posterior covariance does not. We demonstrate how, by rescaling the eigenvalues of the posterior covariance, this independence can be avoided.

在这项工作中,与有限元离散化误差相关的不确定性按照贝叶斯范式进行建模。首先,推导出一种连续公式,根据有限元离散化的观测结果更新解空间的高斯过程先验。为了避免计算棘手的积分,引入了第二种更精细的离散化,假定其密度足以代表真实的解场。在精细离散化的基础上假设一个先验分布,然后根据粗离散化的观测结果进行更新。这就产生了一个后验分布,其平均值可作为解的估计值,而协方差则可模拟与该估计值相关的不确定性。本文研究了两种特定的先验选择:一种是通过为右侧项分配白噪声分布而隐含定义的先验,另一种是协方差函数等于偏微分方程的格林函数的先验。前者得到的后验分布均值接近参考解,但协方差几乎不包含有限元离散化误差的信息。另一方面,后者得到的后验分布均值等于粗有限元解,协方差与离散化误差密切相关。对于这两种先验选择,都会产生矛盾,因为离散化误差取决于右侧项,但后验协方差却不取决于右侧项。我们将演示如何通过重新调整后验协方差的特征值来避免这种独立性。
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引用次数: 0
AR-ADASYN: angle radius-adaptive synthetic data generation approach for imbalanced learning AR-ADASYN:用于不平衡学习的角度半径自适应合成数据生成方法
IF 1.6 2区 数学 Q2 COMPUTER SCIENCE, THEORY & METHODS Pub Date : 2024-08-08 DOI: 10.1007/s11222-024-10479-5
Hyejoon Park, Hyunjoong Kim
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引用次数: 0
Roughness regularization for functional data analysis with free knots spline estimation 利用自由结样条估计进行函数数据分析的粗糙度正则化
IF 2.2 2区 数学 Q2 COMPUTER SCIENCE, THEORY & METHODS Pub Date : 2024-08-08 DOI: 10.1007/s11222-024-10474-w
Anna De Magistris, Valentina De Simone, Elvira Romano, Gerardo Toraldo

In the era of big data, an ever-growing volume of information is recorded, either continuously over time or sporadically, at distinct time intervals. Functional Data Analysis (FDA) stands at the cutting edge of this data revolution, offering a powerful framework for handling and extracting meaningful insights from such complex datasets. The currently proposed FDA methods can often encounter challenges, especially when dealing with curves of varying shapes. This can largely be attributed to the method’s strong dependence on data approximation as a key aspect of the analysis process. In this work, we propose a free knots spline estimation method for functional data with two penalty terms and demonstrate its performance by comparing the results of several clustering methods on simulated and real data.

在大数据时代,越来越多的信息被记录下来,这些信息或随着时间的推移持续不断,或以不同的时间间隔零星记录。功能数据分析(FDA)站在这场数据革命的前沿,为处理此类复杂数据集并从中提取有意义的见解提供了一个强大的框架。目前提出的 FDA 方法经常会遇到挑战,尤其是在处理形状各异的曲线时。这在很大程度上归因于该方法对数据近似的强烈依赖,而数据近似是分析过程中的一个关键环节。在这项工作中,我们提出了一种带有两个惩罚项的函数数据自由结样条估计方法,并通过比较几种聚类方法在模拟数据和真实数据上的结果来证明其性能。
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引用次数: 0
Learning variational autoencoders via MCMC speed measures 通过 MCMC 速度测量学习变分自编码器
IF 2.2 2区 数学 Q2 COMPUTER SCIENCE, THEORY & METHODS Pub Date : 2024-08-06 DOI: 10.1007/s11222-024-10481-x
Marcel Hirt, Vasileios Kreouzis, Petros Dellaportas

Variational autoencoders (VAEs) are popular likelihood-based generative models which can be efficiently trained by maximising an evidence lower bound. There has been much progress in improving the expressiveness of the variational distribution to obtain tighter variational bounds and increased generative performance. Whilst previous work has leveraged Markov chain Monte Carlo methods for constructing variational densities, gradient-based methods for adapting the proposal distributions for deep latent variable models have received less attention. This work suggests an entropy-based adaptation for a short-run metropolis-adjusted Langevin or Hamiltonian Monte Carlo (HMC) chain while optimising a tighter variational bound to the log-evidence. Experiments show that this approach yields higher held-out log-likelihoods as well as improved generative metrics. Our implicit variational density can adapt to complicated posterior geometries of latent hierarchical representations arising in hierarchical VAEs.

变异自动编码器(VAE)是一种流行的基于似然法的生成模型,它可以通过最大化证据下限来进行有效训练。为了获得更严格的变分边界和更高的生成性能,在提高变分分布的表达能力方面取得了很大进展。以前的研究利用马尔可夫链蒙特卡洛方法构建变分密度,而基于梯度的方法来调整深度潜变量模型的提议分布则较少受到关注。这项研究提出了一种基于熵的短程大都会调整朗文或汉密尔顿蒙特卡洛(HMC)链适应方法,同时优化对数证据的更严格变异约束。实验表明,这种方法能产生更高的保持对数似然以及更好的生成指标。我们的隐式变分密度可以适应分层 VAE 中潜在分层表示的复杂后验几何。
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引用次数: 0
The COR criterion for optimal subset selection in distributed estimation 分布式估算中最优子集选择的 COR 准则
IF 2.2 2区 数学 Q2 COMPUTER SCIENCE, THEORY & METHODS Pub Date : 2024-08-02 DOI: 10.1007/s11222-024-10471-z
Guangbao Guo, Haoyue Song, Lixing Zhu

The problem of selecting an optimal subset in distributed regression is a crucial issue, as each distributed data subset may contain redundant information, which can be attributed to various sources such as outliers, dispersion, inconsistent duplicates, too many independent variables, and excessive data points, among others. Efficient reduction and elimination of this redundancy can help alleviate inconsistency issues for statistical inference. Therefore, it is imperative to track redundancy while measuring and processing data. We develop a criterion for optimal subset selection that is related to Covariance matrices, Observation matrices, and Response vectors (COR). We also derive a novel distributed interval estimation for the proposed criterion and establish the existence of optimal subset length. Finally, numerical experiments are conducted to verify the experimental feasibility of the proposed criterion.

在分布式回归中,如何选择最优子集是一个关键问题,因为每个分布式数据子集都可能包含冗余信息,这些冗余信息可归因于各种来源,如异常值、离散性、不一致的重复数据、过多的自变量和过多的数据点等等。有效减少和消除这些冗余信息有助于缓解统计推断的不一致性问题。因此,在测量和处理数据时必须跟踪冗余。我们开发了一种与协方差矩阵、观测矩阵和响应向量(COR)相关的最优子集选择标准。我们还为所提出的标准推导了一种新的分布式区间估计,并确定了最佳子集长度的存在。最后,我们通过数值实验验证了所提准则的实验可行性。
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引用次数: 0
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Statistics and Computing
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