Recent advances in the literature have demonstrated that standard supervised learning algorithms are ill-suited for problems with endogenous explanatory variables. To correct for the endogeneity bias, many variants of nonparameteric instrumental variable regression methods have been developed. In this paper, we propose an alternative algorithm called boostIV that builds on the traditional gradient boosting algorithm and corrects for the endogeneity bias. The algorithm is very intuitive and resembles an iterative version of the standard 2SLS estimator. Moreover, our approach is data driven, meaning that the researcher does not have to make a stance on neither the form of the target function approximation nor the choice of instruments. We demonstrate that our estimator is consistent under mild conditions. We carry out extensive Monte Carlo simulations to demonstrate the finite sample performance of our algorithm compared to other recently developed methods. We show that boostIV is at worst on par with the existing methods and on average significantly outperforms them.

Since its introduction in 2011, there have been over 4000 MOOCs on various subjects on the Web, serving over 35 million learners. MOOCs have shown the ability to democratize knowledge dissemination and bring the best education in the world to every learner. However, the disparate distances between participants, the size of the learner population, and the heterogeneity of the learners' backgrounds make it extremely difficult for instructors to interact with the learners in a timely manner, which adversely affects learning experience. To address the challenges, in this thesis, we propose a framework: educational content linking. By linking and organizing pieces of learning content scattered in various course materials into an easily accessible structure, we hypothesize that this framework can provide learners guidance and improve content navigation. Since most instruction and knowledge acquisition in MOOCs takes place when learners are surveying course materials, better content navigation may help learners find supporting information to resolve their confusion and thus improve learning outcome and experience. To support our conjecture, we present end-to-end studies to investigate our framework around two research questions: 1) can manually generated linking improve learning? 2) can learning content be generated with machine learning methods? For studying the first question, we built an interface that present learning materials and visualize the linking among them simultaneously. We found the interface enables users to search for desired course materials more efficiently, and retain more concepts more readily. For the second question, we propose an automatic content linking algorithm based on conditional random fields. We demonstrate that automatically generated linking can still lead to better learning, although the magnitude of the improvement over the unlinked interface is smaller.

Recent advances in probabilistic modelling have led to a large number of simulation-based inference algorithms which do not require numerical evaluation of likelihoods. However, a public benchmark with appropriate performance metrics for such 'likelihood-free' algorithms has been lacking. This has made it difficult to compare algorithms and identify their strengths and weaknesses. We set out to fill this gap: We provide a benchmark with inference tasks and suitable performance metrics, with an initial selection of algorithms including recent approaches employing neural networks and classical Approximate Bayesian Computation methods. We found that the choice of performance metric is critical, that even state-of-the-art algorithms have substantial room for improvement, and that sequential estimation improves sample efficiency. Neural network-based approaches generally exhibit better performance, but there is no uniformly best algorithm. We provide practical advice and highlight the potential of the benchmark to diagnose problems and improve algorithms. The results can be explored interactively on a companion website. All code is open source, making it possible to contribute further benchmark tasks and inference algorithms.

Classification algorithms have recently found applications in computational physics for the selection of numerical methods or models adapted to the environment and the state of the physical system. For such classification tasks, labeled training data come from numerical simulations and generally correspond to physical fields discretized on a mesh. Three challenging difficulties arise: the lack of training data, their high dimensionality, and the non-applicability of common data augmentation techniques to physics data. This article introduces two algorithms to address these issues, one for dimensionality reduction via feature selection, and one for data augmentation. These algorithms are combined with a wide variety of classifiers for their evaluation. When combined with a stacking ensemble made of six multilayer perceptrons and a ridge logistic regression, they enable reaching an accuracy of 90% on our classification problem for nonlinear structural mechanics.

Nowadays, clinical research routinely uses omics data, such as gene expression, for predicting clinical outcomes or selecting markers. Additionally, so-called co-data are often available, providing complementary information on the covariates, like p-values from previously published studies or groups of genes corresponding to pathways. Elastic net penalisation is widely used for prediction and covariate selection. Group-adaptive elastic net penalisation learns from co-data to improve the prediction and covariate selection, by penalising important groups of covariates less than other groups. Existing methods are, however, computationally expensive. Here we present a fast method for marginal likelihood estimation of group-adaptive elastic net penalties for generalised linear models. We first derive a low-dimensional representation of the Taylor approximation of the marginal likelihood and its first derivative for group-adaptive ridge penalties, to efficiently estimate these penalties. Then we show by using asymptotic normality of the linear predictors that the marginal likelihood for elastic net models may be approximated well by the marginal likelihood for ridge models. The ridge group penalties are then transformed to elastic net group penalties by using the variance function. The method allows for overlapping groups and unpenalised variables. We demonstrate the method in a model-based simulation study and an application to cancer genomics. The method substantially decreases computation time and outperforms or matches other methods by learning from co-data.

We explore generalizations of some integrated learning and optimization frameworks for data-driven contextual stochastic optimization that can adapt to heteroscedasticity. We identify conditions on the stochastic program, data generation process, and the prediction setup under which these generalizations possess asymptotic and finite sample guarantees for a class of stochastic programs, including two-stage stochastic mixed-integer programs with continuous recourse. We verify that our assumptions hold for popular parametric and nonparametric regression methods.

Network embedding is aimed at mapping nodes in a network into low-dimensional vector representations. Graph Neural Networks (GNNs) have received widespread attention and lead to state-of-the-art performance in learning node representations. However, most GNNs only work in unsigned networks, where only positive links exist. It is not trivial to transfer these models to signed directed networks, which are widely observed in the real world yet less studied. In this paper, we first review two fundamental sociological theories (i.e., status theory and balance theory) and conduct empirical studies on real-world datasets to analyze the social mechanism in signed directed networks. Guided by related sociological theories, we propose a novel Signed Directed Graph Neural Networks model named SDGNN to learn node embeddings for signed directed networks. The proposed model simultaneously reconstructs link signs, link directions, and signed directed triangles. We validate our model's effectiveness on five real-world datasets, which are commonly used as the benchmark for signed network embedding. Experiments demonstrate the proposed model outperforms existing models, including feature-based methods, network embedding methods, and several GNN methods.

Objectives: Functional connectivity triggered by naturalistic stimulus (e.g., movies) and machine learning techniques provide a great insight in exploring the brain functions such as fluid intelligence. However, functional connectivity are considered to be multi-layered, while traditional machine learning based on individual models not only are limited in performance, but also fail to extract multi-dimensional and multi-layered information from brain network. Methods: In this study, inspired by multi-layer brain network structure, we propose a new method namely Weighted Ensemble-model and Network Analysis, which combines the machine learning and graph theory for improved fluid intelligence prediction. Firstly, functional connectivity analysis and graphical theory were jointly employed. The functional connectivity and graphical indices computed using the preprocessed fMRI data were then all fed into auto-encoder parallelly for feature extraction to predict the fluid intelligence. In order to improve the performance, tree regression and ridge regression model were automatically stacked and fused with weighted values. Finally, layers of auto-encoder were visualized to better illustrate the connectome patterns, followed by the evaluation of the performance to justify the mechanism of brain functions. Results: Our proposed methods achieved best performance with 3.85 mean absolute deviation, 0.66 correlation coefficient and 0.42 R-squared coefficient, outperformed other state-of-the-art methods. It is also worth noting that, the optimization of the biological pattern extraction was automated though the auto-encoder algorithm. Conclusion: The proposed method not only outperforming the state-of-the-art reports, but also able to effectively capturing the biological patterns from functional connectivity during naturalistic movies state for potential clinical explorations.

Platelet products are both expensive and have very short shelf lives. As usage rates for platelets are highly variable, the effective management of platelet demand and supply is very important yet challenging. The primary goal of this paper is to present an efficient forecasting model for platelet demand at Canadian Blood Services (CBS). To accomplish this goal, four different demand forecasting methods, ARIMA (Auto Regressive Moving Average), Prophet, lasso regression (least absolute shrinkage and selection operator) and LSTM (Long Short-Term Memory) networks are utilized and evaluated. We use a large clinical dataset for a centralized blood distribution centre for four hospitals in Hamilton, Ontario, spanning from 2010 to 2018 and consisting of daily platelet transfusions along with information such as the product specifications, the recipients' characteristics, and the recipients' laboratory test results. This study is the first to utilize different methods from statistical time series models to data-driven regression and a machine learning technique for platelet transfusion using clinical predictors and with different amounts of data. We find that the multivariate approaches have the highest accuracy in general, however, if sufficient data are available, a simpler time series approach such as ARIMA appears to be sufficient. We also comment on the approach to choose clinical indicators (inputs) for the multivariate models.

Randomized artificial neural networks such as extreme learning machines provide an attractive and efficient method for supervised learning under limited computing ressources and green machine learning. This especially applies when equipping mobile devices (sensors) with weak artificial intelligence. Results are discussed about supervised learning with such networks and regression methods in terms of consistency and bounds for the generalization and prediction error. Especially, some recent results are reviewed addressing learning with data sampled by moving sensors leading to non-stationary and dependent samples. As randomized networks lead to random out-of-sample performance measures, we study a cross-validation approach to handle the randomness and make use of it to improve out-of-sample performance. Additionally, a computationally efficient approach to determine the resulting uncertainty in terms of a confidence interval for the mean out-of-sample prediction error is discussed based on two-stage estimation. The approach is applied to a prediction problem arising in vehicle integrated photovoltaics.