Sparse Group Penalties for bi-level variable selection

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Gregor Buch, Andreas Schulz, Irene Schmidtmann, Konstantin Strauch, Philipp S. Wild
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Abstract

Many data sets exhibit a natural group structure due to contextual similarities or high correlations of variables, such as lipid markers that are interrelated based on biochemical principles. Knowledge of such groupings can be used through bi-level selection methods to identify relevant feature groups and highlight their predictive members. One of the best known approaches of this kind combines the classical Least Absolute Shrinkage and Selection Operator (LASSO) with the Group LASSO, resulting in the Sparse Group LASSO. We propose the Sparse Group Penalty (SGP) framework, which allows for a flexible combination of different SGL-style shrinkage conditions. Analogous to SGL, we investigated the combination of the Smoothly Clipped Absolute Deviation (SCAD), the Minimax Concave Penalty (MCP) and the Exponential Penalty (EP) with their group versions, resulting in the Sparse Group SCAD, the Sparse Group MCP, and the novel Sparse Group EP (SGE). Those shrinkage operators provide refined control of the effect of group formation on the selection process through a tuning parameter. In simulation studies, SGPs were compared with other bi-level selection methods (Group Bridge, composite MCP, and Group Exponential LASSO) for variable and group selection evaluated with the Matthews correlation coefficient. We demonstrated the advantages of the new SGE in identifying parsimonious models, but also identified scenarios that highlight the limitations of the approach. The performance of the techniques was further investigated in a real-world use case for the selection of regulated lipids in a randomized clinical trial.

Abstract Image

用于双级变量选择的稀疏组惩罚。
许多数据集由于上下文相似性或变量的高度相关性(如基于生化原理相互关联的脂质标记)而呈现出一种自然的分组结构。这种分组知识可通过双级选择方法来识别相关特征组并突出其预测成员。这类方法中最著名的一种是将经典的最小绝对收缩和选择算子(LASSO)与组 LASSO 结合起来,形成稀疏组 LASSO。我们提出了稀疏组惩罚(SGP)框架,它允许灵活组合不同的 SGL 式收缩条件。与 SGL 类似,我们研究了平滑截断绝对偏差(SCAD)、最小值凹惩罚(MCP)和指数惩罚(EP)与它们的组版本的组合,最终得出稀疏组 SCAD、稀疏组 MCP 和新型稀疏组 EP (SGE)。这些收缩算子通过一个调整参数对分组形成对选择过程的影响进行了精细控制。在模拟研究中,我们将 SGP 与其他双层选择方法(群桥、复合 MCP 和群指数 LASSO)进行了比较,并用马修斯相关系数对变量和群选择进行了评估。我们证明了新的 SGE 在确定拟合模型方面的优势,但也发现了一些凸显该方法局限性的情况。在随机临床试验中选择受调控血脂的实际应用案例中,我们进一步研究了这些技术的性能。
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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