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Scalable Marginalization of Correlated Latent Variables with Applications to Learning Particle Interaction Kernels 相关潜变量的可扩展边缘化及其在粒子相互作用核学习中的应用
Pub Date : 2022-03-16 DOI: 10.51387/22-nejsds13
Mengyang Gu, Xubo Liu, X. Fang, Sui Tang
Marginalization of latent variables or nuisance parameters is a fundamental aspect of Bayesian inference and uncertainty quantification. In this work, we focus on scalable marginalization of latent variables in modeling correlated data, such as spatio-temporal or functional observations. We first introduce Gaussian processes (GPs) for modeling correlated data and highlight the computational challenge, where the computational complexity increases cubically fast along with the number of observations. We then review the connection between the state space model and GPs with Matérn covariance for temporal inputs. The Kalman filter and Rauch-Tung-Striebel smoother were introduced as a scalable marginalization technique for computing the likelihood and making predictions of GPs without approximation. We introduce recent efforts on extending the scalable marginalization idea to the linear model of coregionalization for multivariate correlated output and spatio-temporal observations. In the final part of this work, we introduce a novel marginalization technique to estimate interaction kernels and forecast particle trajectories. The computational progress lies in the sparse representation of the inverse covariance matrix of the latent variables, then applying conjugate gradient for improving predictive accuracy with large data sets. The computational advances achieved in this work outline a wide range of applications in molecular dynamic simulation, cellular migration, and agent-based models.
潜在变量或有害参数的边缘化是贝叶斯推理和不确定性量化的一个基本方面。在这项工作中,我们专注于建模相关数据(如时空或功能观测)中潜在变量的可扩展边缘化。我们首先引入高斯过程(GPs)来建模相关数据,并强调计算挑战,其中计算复杂性随着观测数量的增加而快速增加。然后,我们回顾了状态空间模型和具有时间输入mat协方差的GPs之间的联系。引入卡尔曼滤波和Rauch-Tung-Striebel平滑作为一种可扩展的边缘化技术,用于计算gp的可能性并在没有近似的情况下进行预测。我们介绍了将可扩展边缘化思想扩展到多变量相关输出和时空观测的共区域化线性模型的最新研究成果。在本文的最后,我们介绍了一种新的边缘化技术来估计相互作用核和预测粒子轨迹。计算的进步在于对潜变量的协方差逆矩阵进行稀疏表示,然后应用共轭梯度来提高大数据集的预测精度。在这项工作中取得的计算进步概述了分子动力学模拟,细胞迁移和基于代理的模型的广泛应用。
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引用次数: 6
Comment on “Double Your Variance, Dirtify Your Bayes, Devour Your Pufferfish, and Draw Your Kidstogram,” by Xiao-Li Meng 评论小李b孟的《方差翻倍,贝叶斯变脏,河豚变大,画小孩图
Pub Date : 2022-01-01 DOI: 10.51387/22-nejsds6b
T. Junk
This contribution is a series of comments on Prof. Xiao-Li Meng’s article, “Double Your Variance, Dirtify Your Bayes, Devour Your Pufferfish, and Draw Your Kidstogram”. Prof. Meng’s article offers some radical proposals and not-so-radical proposals to improve the quality of statistical inference used in the sciences and also to extend distributional thinking to early education. Discussions and alternative proposals are presented.
这篇文章是对孟晓丽教授的文章《方差翻倍,贝叶斯变脏,河豚变大,画小孩图》的系列评论。孟教授的文章提出了一些激进的建议和不那么激进的建议,以提高科学中使用的统计推断的质量,并将分布思维扩展到早期教育。提出了讨论和备选建议。
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引用次数: 0
Comments on Xiao-Li Meng’s Double Your Variance, Dirtify Your Bayes, Devour Your Pufferfish, and Draw Your Kidstogram 孟晓丽的《方差翻倍,贝叶斯变脏,河豚变大,画小孩图》评论
Pub Date : 2022-01-01 DOI: 10.51387/23-nejsds6e
D. Lin
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引用次数: 0
Four Types of Frequentism and Their Interplay with Bayesianism 频率主义的四种类型及其与贝叶斯主义的相互作用
Pub Date : 2022-01-01 DOI: 10.51387/22-nejsds4
James O. Berger
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引用次数: 2
Double Your Variance, Dirtify Your Bayes, Devour Your Pufferfish, and Draw your Kidstrogram 方差翻倍,贝叶斯变脏,吞噬你的河豚,画你的小孩图
Pub Date : 2022-01-01 DOI: 10.51387/22-nejsds6
X. Meng
This article expands upon my presentation to the panel on “The Radical Prescription for Change” at the 2017 ASA (American Statistical Association) symposium on A World Beyond $p<0.05$. It emphasizes that, to greatly enhance the reliability of—and hence public trust in—statistical and data scientific findings, we need to take a holistic approach. We need to lead by example, incentivize study quality, and inoculate future generations with profound appreciations for the world of uncertainty and the uncertainty world. The four “radical” proposals in the title—with all their inherent defects and trade-offs—are designed to provoke reactions and actions. First, research methodologies are trustworthy only if they deliver what they promise, even if this means that they have to be overly protective, a necessary trade-off for practicing quality-guaranteed statistics. This guiding principle may compel us to doubling variance in some situations, a strategy that also coincides with the call to raise the bar from $p<0.05$ to $p<0.005$ [3]. Second, teaching principled practicality or corner-cutting is a promising strategy to enhance the scientific community’s as well as the general public’s ability to spot—and hence to deter—flawed arguments or findings. A remarkable quick-and-dirty Bayes formula for rare events, which simply divides the prevalence by the sum of the prevalence and the false positive rate (or the total error rate), as featured by the popular radio show Car Talk, illustrates the effectiveness of this strategy. Third, it should be a routine mental exercise to put ourselves in the shoes of those who would be affected by our research finding, in order to combat the tendency of rushing to conclusions or overstating confidence in our findings. A pufferfish/selfish test can serve as an effective reminder, and can help to institute the mantra “Thou shalt not sell what thou refuseth to buy” as the most basic professional decency. Considering personal stakes in our statistical endeavors also points to the concept of behavioral statistics, in the spirit of behavioral economics. Fourth, the current mathematical education paradigm that puts “deterministic first, stochastic second” is likely responsible for the general difficulties with reasoning under uncertainty, a situation that can be improved by introducing the concept of histogram, or rather kidstogram, as early as the concept of counting.
这篇文章扩展了我在2017年美国统计协会(ASA)关于“一个超越p<0.05美元的世界”研讨会上关于“变革的激进处方”的小组发言。它强调,为了大大提高统计和数据科学发现的可靠性,从而提高公众的信任,我们需要采取全面的方法。我们需要以身作则,激励学习质量,给后代接种对不确定世界和不确定世界的深刻欣赏。标题中的四个“激进”提议——连同它们所有固有的缺陷和权衡——旨在激起反应和行动。首先,研究方法只有在兑现承诺的情况下才值得信赖,即使这意味着它们必须过度保护,这是实践质量保证统计的必要权衡。这一指导原则可能会迫使我们在某些情况下将方差加倍,这一策略也与将标准从$p<0.05$提高到$p<0.005$[3]的要求相一致。其次,教授原则性的实用性或投机取巧是一种很有前途的策略,可以提高科学界和公众发现——从而确定——有缺陷的论点或发现的能力。一个针对罕见事件的贝叶斯公式,简单地将发生率除以发生率和误报率(或总错误率)的总和,就像流行的广播节目《汽车谈话》(Car Talk)所展示的那样,说明了这种策略的有效性。第三,我们应该把自己设身处地地为那些可能会受到我们的研究结果影响的人着想,这应该是一种日常的心理锻炼,以防止我们急于得出结论或对自己的研究结果过于自信。河豚/自私测试可以作为一个有效的提醒,并有助于将“你不应该卖你拒绝购买的东西”作为最基本的职业礼仪。在行为经济学的精神下,考虑个人在统计工作中的利害关系也指向了行为统计的概念。第四,当前的数学教育范式将“确定性放在第一位,随机放在第二位”,这可能是不确定性下推理普遍困难的原因,这种情况可以通过引入直方图的概念来改善,或者更确切地说,儿童图,就像计数的概念一样。
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引用次数: 2
Comment on “Double Your Variance, Dirtify Your Bayes, Devour Your Pufferfish, and Draw Your Kidstogram,” by Xiao-Li Meng 评论孟晓丽的《方差翻倍,贝叶斯变脏,河豚变大,画小孩图》
Pub Date : 2022-01-01 DOI: 10.51387/22-nejsds6c
E. Kolaczyk
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引用次数: 0
Comment on “Double Your Variance, Dirtify Your Bayes, Devour Your Pufferfish, and Draw your Kidstogram” by Xiao-Li Meng 评论孟小丽的《方差翻倍,贝叶斯变脏,河豚变大,画小孩图
Pub Date : 2022-01-01 DOI: 10.51387/22-nejsds6d
C. Franklin
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引用次数: 0
Radical and Not-So-Radical Principles and Practices: Discussion of Meng 激进与非激进的原则与实践:孟氏论
Pub Date : 2022-01-01 DOI: 10.51387/22-nejsds6a
R. Wasserstein, A. Schirm, N. Lazar
We highlight points of agreement between Meng’s suggested principles and those proposed in our 2019 editorial in The American Statistician. We also discuss some questions that arise in the application of Meng’s principles in practice.
我们强调了孟建议的原则与我们2019年在《美国统计学家》上发表的社论中提出的原则之间的一致之处。我们还讨论了在实践中应用孟的原则时出现的一些问题。
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引用次数: 0
The Total i3+3 (Ti3+3) Design for Assessing Multiple Types and Grades of Toxicity in Phase I Trials I期试验中用于评估多种类型和等级毒性的总i3+3 (Ti3+3)设计
Pub Date : 2022-01-01 DOI: 10.51387/22-nejsds7
Meizi Liu, Yuan Ji, Ji Lin
Phase I trials investigate the toxicity profile of a new treatment and identify the maximum tolerated dose for further evaluation. Most phase I trials use a binary dose-limiting toxicity endpoint to summarize the toxicity profile of a dose. In reality, reported toxicity information is much more abundant, including various types and grades of adverse events. Building upon the i3+3 design (Liu et al., 2020), we propose the Ti3+3 design, in which the letter “T” represents “total” toxicity. The proposed design takes into account multiple toxicity types and grades by computing the toxicity burden at each dose. The Ti3+3 design aims to achieve desirable operating characteristics using a simple statistics framework that utilizes“toxicity burden interval” (TBI). Simulation results show that Ti3+3 demonstrates comparable performance with existing more complex designs.
I期试验研究一种新疗法的毒性特征,并确定最大耐受剂量,以供进一步评估。大多数I期试验使用二元剂量限制毒性终点来总结剂量的毒性概况。实际上,报告的毒性信息要丰富得多,包括各种类型和等级的不良事件。在i3+3设计的基础上(Liu et al., 2020),我们提出了Ti3+3设计,其中字母“T”代表“总”毒性。所建议的设计通过计算每次剂量下的毒性负担来考虑多种毒性类型和等级。Ti3+3设计旨在通过使用“毒性负荷区间”(TBI)的简单统计框架来实现理想的操作特性。仿真结果表明,Ti3+3具有与现有更复杂设计相当的性能。
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引用次数: 0
Dietary Patterns and Cancer Risk: An Overview with Focus on Methods 饮食模式与癌症风险:以方法为重点的综述
Pub Date : 2022-01-01 DOI: 10.51387/23-nejsds35
V. Edefonti, R. De Vito, M. Parpinel, M. Ferraroni
Traditionally, research in nutritional epidemiology has focused on specific foods/food groups or single nutrients in their relation with disease outcomes, including cancer. Dietary pattern analysis have been introduced to examine potential cumulative and interactive effects of individual dietary components of the overall diet, in which foods are consumed in combination. Dietary patterns can be identified by using evidence-based investigator-defined approaches or by using data-driven approaches, which rely on either response independent (also named “a posteriori” dietary patterns) or response dependent (also named “mixed-type” dietary patterns) multivariate statistical methods. Within the open methodological challenges related to study design, dietary assessment, identification of dietary patterns, confounding phenomena, and cancer risk assessment, the current paper provides an updated landscape review of novel methodological developments in the statistical analysis of a posteriori/mixed-type dietary patterns and cancer risk. The review starts from standard a posteriori dietary patterns from principal component, factor, and cluster analyses, including mixture models, and examines mixed-type dietary patterns from reduced rank regression, partial least squares, classification and regression tree analysis, and least absolute shrinkage and selection operator. Novel statistical approaches reviewed include Bayesian factor analysis with modeling of sparsity through shrinkage and sparse priors and frequentist focused principal component analysis. Most novelties relate to the reproducibility of dietary patterns across studies where potentialities of the Bayesian approach to factor and cluster analysis work at best.
传统上,营养流行病学的研究侧重于特定食物/食物组或单一营养素与疾病结局(包括癌症)的关系。饮食模式分析已被引入,以检查整体饮食中单个饮食成分的潜在累积和相互作用效应,其中食物被组合食用。饮食模式可以通过使用基于证据的研究者定义的方法或使用数据驱动的方法来确定,这些方法依赖于反应独立(也称为“后验”饮食模式)或反应依赖(也称为“混合型”饮食模式)的多变量统计方法。在与研究设计、饮食评估、饮食模式识别、混杂现象和癌症风险评估相关的开放式方法学挑战中,本文对后验/混合型饮食模式和癌症风险统计分析方面的新方法学发展进行了最新的综述。本综述从包括混合模型在内的主成分、因子和聚类分析的标准后验饮食模式开始,并从降秩回归、偏最小二乘法、分类和回归树分析、最小绝对收缩和选择算子等方法检验混合饮食模式。回顾了新的统计方法,包括贝叶斯因子分析,通过收缩和稀疏先验来建模稀疏性,以及频率集中的主成分分析。大多数新奇之处都与饮食模式的可重复性有关,在这些研究中,贝叶斯方法的潜力在因子和聚类分析中发挥了最大的作用。
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引用次数: 1
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The New England Journal of Statistics in Data Science
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