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The Theory Behind Overfitting, Cross Validation, Regularization, Bagging, and Boosting: Tutorial

arXiv.org Machine Learning

In this tutorial paper, we first define mean squared error, variance, covariance, and bias of both random variables and classification/predictor models. Then, we formulate the true and generalization errors of the model for both training and validation/test instances where we make use of the Stein's Unbiased Risk Estimator (SURE). We define overfitting, underfitting, and generalization using the obtained true and generalization errors. We introduce cross validation and two well-known examples which are $K$-fold and leave-one-out cross validations. We briefly introduce generalized cross validation and then move on to regularization where we use the SURE again. We work on both $\ell_2$ and $\ell_1$ norm regularizations. Then, we show that bootstrap aggregating (bagging) reduces the variance of estimation. Boosting, specifically AdaBoost, is introduced and it is explained as both an additive model and a maximum margin model, i.e., Support Vector Machine (SVM). The upper bound on the generalization error of boosting is also provided to show why boosting prevents from overfitting. As examples of regularization, the theory of ridge and lasso regressions, weight decay, noise injection to input/weights, and early stopping are explained. Random forest, dropout, histogram of oriented gradients, and single shot multi-box detector are explained as examples of bagging in machine learning and computer vision. Finally, boosting tree and SVM models are mentioned as examples of boosting.


Using Ontologies To Improve Performance In Massively Multi-label Prediction Models

arXiv.org Artificial Intelligence

Massively multi-label prediction/classification problems arise in environments like health-care or biology where very precise predictions are useful. One challenge with massively multi-label problems is that there is often a long-tailed frequency distribution for the labels, which results in few positive examples for the rare labels. We propose a solution to this problem by modifying the output layer of a neural network to create a Bayesian network of sigmoids which takes advantage of ontology relationships between the labels to help share information between the rare and the more common labels. We apply this method to the two massively multi-label tasks of disease prediction (ICD-9 codes) and protein function prediction (Gene Ontology terms) and obtain significant improvements in per-label AUROC and average precision for less common labels.


Bayesian Anomaly Detection Using Extreme Value Theory

arXiv.org Machine Learning

Data-driven anomaly detection methods typically build a model for the normal behavior of the target system, and score each data instance with respect to this model. A threshold is invariably needed to identify data instances with high (or low) scores as anomalies. This presents a practical limitation on the applicability of such methods, since most methods are sensitive to the choice of the threshold, and it is challenging to set optimal thresholds. We present a probabilistic framework to explicitly model the normal and anomalous behaviors and probabilistically reason about the data. An extreme value theory based formulation is proposed to model the anomalous behavior as the extremes of the normal behavior. As a specific instantiation, a joint non-parametric clustering and anomaly detection algorithm (INCAD) is proposed that models the normal behavior as a Dirichlet Process Mixture Model. A pseudo-Gibbs sampling based strategy is used for inference. Results on a variety of data sets show that the proposed method provides effective clustering and anomaly detection without requiring strong initialization and thresholding parameters.


Bayesian Inference for Polya Inverse Gamma Models

arXiv.org Machine Learning

The normalizing constants of these distributions depend on gamma functions whose arguments include shape (gamma, inverse gamma) and concentration (beta, Dirichlet) parameters. Bayesian learning of parameters nested inside the gamma function presents significant technical difficulties, since there is no known conjugate prior distribution. In fact, inferring the shape parameter in the gamma distribution is a long-studied problem in Bayesian inference (Damsleth, 1975; Rossell et al., 2009; Miller, 2018). In this paper, we develop the theoretical and algorithmic foundation of a P olya-inverse Gamma (PIG) data augmentation scheme for fully Bayesian inference of shape and concentration parameters in gamma, inverse gamma, and Dirichlet models, respectively . PIG data augmentation may be utilized to design efficient Markov chain Monte Carlo (MCMC) algorithms in latent Dirichlet allocation (Blei et al., 2003), Beta-negative binomial models (Zhou et al., 2012), and Gamma-Gamma (GaGa) hierarchical models (Rossell et al., 2009).


A New Distribution on the Simplex with Auto-Encoding Applications

arXiv.org Machine Learning

We construct a new distribution for the simplex using the Kumaraswamy distribution and an ordered stick-breaking process. We explore and develop the theoretical properties of this new distribution and prove that it exhibits symmetry under the same conditions as the well-known Dirichlet. Like the Dirichlet, the new distribution is adept at capturing sparsity but, unlike the Dirichlet, has an exact and closed form reparameterization--making it well suited for deep variational Bayesian modeling. We demonstrate the distribution's utility in a variety of semi-supervised auto-encoding tasks. In all cases, the resulting models achieve competitive performance commensurate with their simplicity, use of explicit probability models, and abstinence from adversarial training.


Stochastic Proximal Langevin Algorithm: Potential Splitting and Nonasymptotic Rates

arXiv.org Machine Learning

We propose a new algorithm---Stochastic Proximal Langevin Algorithm (SPLA)---for sampling from a log concave distribution. Our method is a generalization of the Langevin algorithm to potentials expressed as the sum of one stochastic smooth term and multiple stochastic nonsmooth terms. In each iteration, our splitting technique only requires access to a stochastic gradient of the smooth term and a stochastic proximal operator for each of the nonsmooth terms. We establish nonasymptotic sublinear and linear convergence rates under convexity and strong convexity of the smooth term, respectively, expressed in terms of the KL divergence and Wasserstein distance. We illustrate the efficiency of our sampling technique through numerical simulations on a Bayesian learning task.


Asymptotically Unambitious Artificial General Intelligence

arXiv.org Artificial Intelligence

General intelligence, the ability to solve arbitrary solvable problems, is supposed by many to be artificially constructible. Narrow intelligence, the ability to solve a given particularly difficult problem, has seen impressive recent development. Notable examples include self-driving cars, Go engines, image classifiers, and translators. Artificial General Intelligence (AGI) presents dangers that narrow intelligence does not: if something smarter than us across every domain were indifferent to our concerns, it would be an existential threat to humanity, just as we threaten many species despite no ill will. Even the theory of how to maintain the alignment of an AGI's goals with our own has proven highly elusive. We present the first algorithm we are aware of for asymptotically unambitious AGI, where "unambitiousness" includes not seeking arbitrary power. Thus, we identify an exception to the Instrumental Convergence Thesis, which is roughly that by default, an AGI would seek power, including over us.


Capsule Routing via Variational Bayes

arXiv.org Machine Learning

Capsule Networks are a recently proposed alternative for constructing Neural Networks, and early indications suggest that they can provide greater generalisation capacity using fewer parameters. In capsule networks scalar neurons are replaced with capsule vectors or matrices, whose entries represent different properties of objects. The relationships between objects and its parts are learned via trainable viewpoint-invariant transformation matrices, and the presence of a given object is decided by the level of agreement among votes from its parts. This interaction occurs between capsule layers and is a process called routing-by-agreement. Although promising, capsule networks remain underexplored by the community, and in this paper we present a new capsule routing algorithm based of Variational Bayes for a mixture of transforming gaussians. Our Bayesian approach addresses some of the inherent weaknesses of EM routing such as the 'variance collapse' by modelling uncertainty over the capsule parameters in addition to the routing assignment posterior probabilities. We test our method on public domain datasets and outperform the state-of-the-art performance on smallNORB using 50% less capsules.


Relational Representation Learning for Dynamic (Knowledge) Graphs: A Survey

arXiv.org Machine Learning

Graphs arise naturally in many real-world applications including social networks, recommender systems, ontologies, biology, and computational finance. Traditionally, machine learning models for graphs have been mostly designed for static graphs. However, many applications involve evolving graphs. This introduces important challenges for learning and inference since nodes, attributes, and edges change over time. In this survey, we review the recent advances in representation learning for dynamic graphs, including dynamic knowledge graphs. We describe existing models from an encoder-decoder perspective, categorize these encoders and decoders based on the techniques they employ, and analyze the approaches in each category. We also review several prominent applications and widely used datasets, and highlight directions for future research.


Modelling conditional probabilities with Riemann-Theta Boltzmann Machines

arXiv.org Machine Learning

The probability density function for the visible sector of a Riemann-Theta Boltzmann machine can be taken conditional on a subset of the visible units. We derive that the corresponding conditional density function is given by a reparameterization of the Riemann-Theta Boltzmann machine modelling the original probability density function. Therefore the conditional densities can be directly inferred from the Riemann-Theta Boltzmann machine.