Given an unsupervised novelty detection task on a new dataset, how can we automatically select a ''best'' detection model while simultaneously controlling the error rate of the best model? For novelty detection analysis, numerous detectors have been proposed to detect outliers on a new unseen dataset based on a score function trained on available clean data. However, due to the absence of labeled data for model evaluation and comparison, there is a lack of systematic approaches that are able to select a ''best'' model/detector (i.e., the algorithm as well as its hyperparameters) and achieve certain error rate control simultaneously. In this paper, we introduce a unified data-driven procedure to address this issue. The key idea is to maximize the number of detected outliers while controlling the false discovery rate (FDR) with the help of Jackknife prediction. We establish non-asymptotic bounds for the false discovery proportions and show that the proposed procedure yields valid FDR control under some mild conditions. Numerical experiments on both synthetic and real data validate the theoretical results and demonstrate the effectiveness of our proposed AutoMS method.

Given an unsupervised novelty detection task on a new dataset, how can we automatically select a ''best'' detection model while simultaneously controlling the error rate of the best model? For novelty detection analysis, numerous detectors have been proposed to detect outliers on a new unseen dataset based on a score function trained on available clean data. However, due to the absence of labeled data for model evaluation and comparison, there is a lack of systematic approaches that are able to select a ''best'' model/detector (i.e., the algorithm as well as its hyperparameters) and achieve certain error rate control simultaneously. In this paper, we introduce a unified data-driven procedure to address this issue. The key idea is to maximize the number of detected outliers while controlling the false discovery rate (FDR) with the help of Jackknife prediction. We establish non-asymptotic bounds for the false discovery proportions and show that the proposed procedure yields valid FDR control under some mild conditions.

Consider the problem of imputing missing values in a dataset. One the one hand, conventional approaches using iterative imputation benefit from the simplicity and customizability of learning conditional distributions directly, but suffer from the practical requirement for appropriate model specification of each and every variable. On the other hand, recent methods using deep generative modeling benefit from the capacity and efficiency of learning with neural network function approximators, but are often difficult to optimize and rely on stronger data assumptions. In this work, we study an approach that marries the advantages of both: We propose *HyperImpute*, a generalized iterative imputation framework for adaptively and automatically configuring column-wise models and their hyperparameters. Practically, we provide a concrete implementation with out-of-the-box learners, optimizers, simulators, and extensible interfaces. Empirically, we investigate this framework via comprehensive experiments and sensitivities on a variety of public datasets, and demonstrate its ability to generate accurate imputations relative to a strong suite of benchmarks. Contrary to recent work, we believe our findings constitute a strong defense of the iterative imputation paradigm.

Neural networks and deep learning are changing the way that artificial intelligence is being done. Efficiently choosing a suitable network architecture and fine-tune its hyper-parameters for a specific dataset is a time-consuming task given the staggering number of possible alternatives. In this paper, we address the problem of model selection by means of a fully automated framework for efficiently selecting a neural network model for a given task: classification or regression. The algorithm, named Automatic Model Selection, is a modified micro-genetic algorithm that automatically and efficiently finds the most suitable neural network model for a given dataset. The main contributions of this method are a simple list based encoding for neural networks as genotypes in an evolutionary algorithm, new crossover, and mutation operators, the introduction of a fitness function that considers both, the accuracy of the model and its complexity and a method to measure the similarity between two neural networks. AMS is evaluated on two different datasets. By comparing some models obtained with AMS to state-of-the-art models for each dataset we show that AMS can automatically find efficient neural network models. Furthermore, AMS is computationally efficient and can make use of distributed computing paradigms to further boost its performance.

While classical kernel-based learning algorithms are based on a single kernel, in practice it is often desirable to use multiple kernels. Lankriet et al. (2004) considered conic combinations of kernel matrices for classification, leading to a convex quadratically constraint quadratic program. We show that it can be rewritten as a semi-infinite linear program that can be efficiently solved by recycling the standard SVM implementations. Moreover, we generalize the formulation and our method to a larger class of problems, including regression and one-class classification. Experimental results show that the proposed algorithm helps for automatic model selection, improving the interpretability of the learning result and works for hundred thousands of examples or hundreds of kernels to be combined.

While classical kernel-based learning algorithms are based on a single kernel, in practice it is often desirable to use multiple kernels. Lankriet et al. (2004) considered conic combinations of kernel matrices for classification, leading to a convex quadratically constraint quadratic program. We show that it can be rewritten as a semi-infinite linear program that can be efficiently solved by recycling the standard SVM implementations. Moreover, we generalize the formulation and our method to a larger class of problems, including regression and one-class classification. Experimental results show that the proposed algorithm helps for automatic model selection, improving the interpretability of the learning result and works for hundred thousands of examples or hundreds of kernels to be combined.

While classical kernel-based learning algorithms are based on a single kernel, in practice it is often desirable to use multiple kernels. Lankriet et al. (2004) considered conic combinations of kernel matrices for classification, leadingto a convex quadratically constraint quadratic program. We show that it can be rewritten as a semi-infinite linear program that can be efficiently solved by recycling the standard SVM implementations. Moreover,we generalize the formulation and our method to a larger class of problems, including regression and one-class classification. Experimentalresults show that the proposed algorithm helps for automatic model selection, improving the interpretability of the learning resultand works for hundred thousands of examples or hundreds of kernels to be combined.