An update on statistical boosting in biomedicine

Statistical boosting algorithms have triggered a lot of research during the last decade. They combine a powerful machine-learning approach with classical statistical modelling, offering various practical advantages like automated variable selection and implicit regularization of effect estimates. They are extremely flexible, as the underlying base-learners (regression functions defining the type of effect for the explanatory variables) can be combined with any kind of loss function (target function to be optimized, defining the type of regression setting). In this review article, we highlight the most recent methodological developments on statistical boosting regarding variable selection, functional regression and advanced time-to-event modelling. Additionally, we provide a short overview on relevant applications of statistical boosting in biomedicine

Variable Selection with False Discovery Control

Technological advances that allow routine identification of high-dimensional risk factors have led to high demand for statistical techniques that enable full utilization of these rich sources of information for genome-wide association studies (GWAS). Variable selection for censored outcome data as well as control of false discoveries (i.e. inclusion of irrelevant variables) in the presence of high-dimensional predictors present serious challenges. In the context of survival analysis with high-dimensional covariates, this paper develops a computationally feasible method for building general risk prediction models, while controlling false discoveries. We have proposed a high-dimensional variable selection method by incorporating stability selection to control false discovery. Comparisons between the proposed method and the commonly used univariate and Lasso approaches for variable selection reveal that the proposed method yields fewer false discoveries. The proposed method is applied to study the associations of 2,339 common single-nucleotide polymorphisms (SNPs) with overall survival among cutaneous melanoma (CM) patients. The results have confirmed that BRCA2 pathway SNPs are likely to be associated with overall survival, as reported by previous literature. Moreover, we have identified several new Fanconi anemia (FA) pathway SNPs that are likely to modulate survival of CM patients

EM and component-wise boosting for Hidden Markov Models: a machine-learning approach to capture-recapture

This study presents a new boosting method for capture-recapture models, rooted in predictive-performance and machine-learning. The regularization algorithm combines Expectation-Maximization and boosting to yield a type of multimodel inference, including automatic variable selection and control of model complexity. By analyzing simulations and a real dataset, this study shows the qualitatively similar estimates between AICc model-averaging and boosted capture-recapture for the CJS model. I discuss a number of benefits of boosting for capture-recapture, including: i) ability to fit non-linear patterns (regression-trees, splines); ii) sparser, simpler models that are less prone to over-fitting, singularities or boundary-value estimates than conventional methods; iii) an inference paradigm that is rooted in predictive-performance and free of p-values or 95% confidence intervals; and v) estimates that are slightly biased, but are more stable over multiple realizations of the data. Finally, I discuss some philosophical considerations to help practitioners motivate the use of either prediction-optimal methods (AIC, boosting) or model-consistent methods. The boosted capture-recapture framework is highly extensible and could provide a rich, unified framework for addressing many topics in capture-recapture, such as spatial capture-recapture, individual heterogeneity, and non-linear effects

Gradient boosting in automatic machine learning: feature selection and hyperparameter optimization

Das Ziel des automatischen maschinellen Lernens (AutoML) ist es, alle Aspekte der Modellwahl in prädiktiver Modellierung zu automatisieren. Diese Arbeit beschäftigt sich mit Gradienten Boosting im Kontext von AutoML mit einem Fokus auf Gradient Tree Boosting und komponentenweisem Boosting. Beide Techniken haben eine gemeinsame Methodik, aber ihre Zielsetzung ist unterschiedlich. Während Gradient Tree Boosting im maschinellen Lernen als leistungsfähiger Vorhersagealgorithmus weit verbreitet ist, wurde komponentenweises Boosting im Rahmen der Modellierung hochdimensionaler Daten entwickelt. Erweiterungen des komponentenweisen Boostings auf multidimensionale Vorhersagefunktionen werden in dieser Arbeit ebenfalls untersucht. Die Herausforderung der Hyperparameteroptimierung wird mit Fokus auf Bayesianische Optimierung und effiziente Stopping-Strategien diskutiert. Ein groß angelegter Benchmark über Hyperparameter verschiedener Lernalgorithmen, zeigt den kritischen Einfluss von Hyperparameter Konfigurationen auf die Qualität der Modelle. Diese Daten können als Grundlage für neue AutoML- und Meta-Lernansätze verwendet werden. Darüber hinaus werden fortgeschrittene Strategien zur Variablenselektion zusammengefasst und eine neue Methode auf Basis von permutierten Variablen vorgestellt. Schließlich wird ein AutoML-Ansatz vorgeschlagen, der auf den Ergebnissen und Best Practices für die Variablenselektion und Hyperparameteroptimierung basiert. Ziel ist es AutoML zu vereinfachen und zu stabilisieren sowie eine hohe Vorhersagegenauigkeit zu gewährleisten. Dieser Ansatz wird mit AutoML-Methoden, die wesentlich komplexere Suchräume und Ensembling Techniken besitzen, verglichen. Vier Softwarepakete für die statistische Programmiersprache R sind Teil dieser Arbeit, die neu entwickelt oder erweitert wurden: mlrMBO: Ein generisches Paket für die Bayesianische Optimierung; autoxgboost: Ein AutoML System, das sich vollständig auf Gradient Tree Boosting fokusiert; compboost: Ein modulares, in C++ geschriebenes Framework für komponentenweises Boosting; gamboostLSS: Ein Framework für komponentenweises Boosting additiver Modelle für Location, Scale und Shape.The goal of automatic machine learning (AutoML) is to automate all aspects of model selection in (supervised) predictive modeling. This thesis deals with gradient boosting techniques in the context of AutoML with a focus on gradient tree boosting and component-wise gradient boosting. Both techniques have a common methodology, but their goal is quite different. While gradient tree boosting is widely used in machine learning as a powerful prediction algorithm, component-wise gradient boosting strength is in feature selection and modeling of high-dimensional data. Extensions of component-wise gradient boosting to multidimensional prediction functions are considered as well. Focusing on Bayesian optimization and efficient early stopping strategies the challenge of hyperparameter optimization for these algorithms is discussed. Difficulty in the optimization of these algorithms is shown by a large scale random search on hyperparameters for machine learning algorithms, that can build the foundation of new AutoML and metalearning approaches. Furthermore, advanced feature selection strategies are summarized and a new method based on shadow features is introduced. Finally, an AutoML approach based on the results and best practices for feature selection and hyperparameter optimization is proposed, with the goal of simplifying and stabilizing AutoML while maintaining high prediction accuracy. This is compared to AutoML approaches using much more complex search spaces and ensembling techniques. Four software packages for the statistical programming language R have been newly developed or extended as a part of this thesis: mlrMBO: A general framework for Bayesian optimization; autoxgboost: An automatic machine learning framework that heavily utilizes gradient tree boosting; compboost: A modular framework for component-wise boosting written in C++; gamboostLSS: A framework for component-wise boosting for generalized additive models for location scale and shape

Boosting Functional Regression Models with FDboost

The R add-on package FDboost is a flexible toolbox for the estimation of functional regression models by model-based boosting. It provides the possibility to fit regression models for scalar and functional response with effects of scalar as well as functional covariates, i.e., scalar-on-function, function-on-scalar and function-on-function regression models. In addition to mean regression, quantile regression models as well as generalized additive models for location scale and shape can be fitted with FDboost. Furthermore, boosting can be used in high-dimensional data settings with more covariates than observations. We provide a hands-on tutorial on model fitting and tuning, including the visualization of results. The methods for scalar-on-function regression are illustrated with spectrometric data of fossil fuels and those for functional response regression with a data set including bioelectrical signals for emotional episodes

Advanced Prognostic Modeling for Breast Cancer Patients: Leveraging Data-Driven Approaches for Survival Analysis

Breast cancer is the second most prevalent form of cancer in women in the United States. Each year, about 264,000 cases of breast cancer are diagnosed in women and of this number, about 42,000 women lose their lives as reported by the Centers for Disease Control and Prevention. Early detection and effective treatment are crucial for improving survival rates and reducing mortality. This study aimed to explore the influential factors that may risk the survival of women with the disease and compare their predictive abilities using several error and performance metrics. The study uses a dataset from the National Cancer Institute\u27s Surveillance, Epidemiology, and End Results program containing information on 4024 women with infiltrating duct and lobular carcinoma breast cancer diagnosed between 2006 - 2010. We adopt the ensemble technique, Random Survival Forest which was built as a time-to-event extension of the random forest that can handle high-dimensional data and interactions between variables, and the Cox Proportional Deep Neural Network which can handle complex nonlinear relationships between covariates. The LASSO Cox regression technique was employed as a variable selection method to be used in building the models. To improve the interpretability of the results, the Shapley Additive explanation was utilized in the study to shed light on the models\u27 performance and to facilitate the interpretation of the model\u27s variables, using the features obtained from the Cox regression hazard model and Machine Learning techniques such as the Extreme Gradient Boosting, LightGBM, SVM with RBF Kernel and Random Forests algorithms as a benchmark