Neural Architecture Search methods are effective but often use complex algorithms to come up with the best architecture. We propose an approach with three basic steps that is conceptually much simpler. First we train N random architectures to generate N (architecture, validation accuracy) pairs and use them to train a regression model that predicts accuracy based on the architecture. Next, we use this regression model to predict the validation accuracies of a large number of random architectures. Finally, we train the top-K predicted architectures and deploy the model with the best validation result. While this approach seems simple, it is more than 20 times as sample efficient as Regularized Evolution on the NASBench-101 benchmark and can compete on ImageNet with more complex approaches based on weight sharing, such as ProxylessNAS.

An ant colony optimization approach for partitioning a set of objects is proposed. In order to minimize the intra-variance, or within sum-of-squares, of the partitioned classes, we construct ant-like solutions by a constructive approach that selects objects to be put in a class with a probability that depends on the distance between the object and the centroid of the class (visibility) and the pheromone trail; the latter depends on the class memberships that have been defined along the iterations. The procedure is improved with the application of K-means algorithm in some iterations of the ant colony method. We performed a simulation study in order to evaluate the method with a Monte Carlo experiment that controls some sensitive parameters of the clustering problem. After some tuning of the parameters, the method has also been applied to some benchmark real-data sets. Encouraging results were obtained in nearly all cases.

Bayesian inference problems require sampling or approximating high-dimensional probability distributions. The focus of this paper is on the recently introduced Stein variational gradient descent methodology, a class of algorithms that rely on iterated steepest descent steps with respect to a reproducing kernel Hilbert space norm. This construction leads to interacting particle systems, the mean-field limit of which is a gradient flow on the space of probability distributions equipped with a certain geometrical structure. We leverage this viewpoint to shed some light on the convergence properties of the algorithm, in particular addressing the problem of choosing a suitable positive definite kernel function. Our analysis leads us to considering certain nondifferentiable kernels with adjusted tails. We demonstrate significant performs gains of these in various numerical experiments.

This work develops rigorous theoretical basis for the fact that deep Bayesian neural network (BNN) is an effective tool for high-dimensional variable selection with rigorous uncertainty quantification. We develop new Bayesian non-parametric theorems to show that a properly configured deep BNN (1) learns the variable importance effectively in high dimensions, and its learning rate can sometimes "break" the curse of dimensionality. (2) BNN's uncertainty quantification for variable importance is rigorous, in the sense that its 95% credible intervals for variable importance indeed covers the truth 95% of the time (i.e., the Bernstein-von Mises (BvM) phenomenon). The theoretical results suggest a simple variable selection algorithm based on the BNN's credible intervals. Extensive simulation confirms the theoretical findings and shows that the proposed algorithm outperforms existing classic and neural-network-based variable selection methods, particularly in high dimensions.

In safety-critical applications of machine learning, it is often necessary to look beyond standard metrics such as test accuracy in order to validate various qualitative properties such as monotonicity with respect to a feature or combination of features, checking for undesirable changes or oscillations in the response, and differences in outcomes (e.g. discrimination) for a protected class. To help answer this need, we propose a framework for approximately validating (or invalidating) various properties of a black box model by finding a univariate diagnostic curve in the input space whose output maximally violates a given property. These diagnostic curves show the exact value of the model along the curve and can be displayed with a simple and intuitive line graph. We demonstrate the usefulness of these diagnostic curves across multiple use-cases and datasets including selecting between two models and understanding out-of-sample behavior.

t-SNE is a popular tool for embedding multi-dimensional datasets into two or three dimensions. However, it has a large computational cost, especially when the input data has many dimensions. Many use t-SNE to embed the output of a neural network, which is generally of much lower dimension than the original data. This limits the use of t-SNE in unsupervised scenarios. We propose using \textit{random} projections to embed high dimensional datasets into relatively few dimensions, and then using t-SNE to obtain a two dimensional embedding. We show that random projections preserve the desirable clustering achieved by t-SNE, while dramatically reducing the runtime of finding the embedding.

Ensemble methods based on bootstrapping have improved the predictive accuracy of base learners, but fail to provide a framework in which formal statistical inference can be conducted. Recent theoretical developments suggest taking subsamples without replacement and analyze the resulting estimator in the context of a U-statistic, thus demonstrating asymptotic normality properties. However, we observe that current methods for variance estimation exhibit severe bias when the number of base learners is not large enough, compromising the validity of the resulting confidence intervals or hypothesis tests. This paper shows that similar asymptotics can be achieved by means of V-statistics, corresponding to taking subsamples with replacement. Further, we develop a bias correction algorithm for estimating variance in the limiting distribution, which yields satisfactory results with moderate size of base learners.

We propose a method that enables practitioners to conveniently incorporate custom non-decomposable performance metrics into differentiable learning pipelines, notably those based upon deep learning architectures. Our approach is based on the recently-developed adversarial prediction framework, a distributionally robust approach that optimizes a metric in the worst case given the statistical summary of the empirical distribution. We formulate a marginal distribution technique to reduce the complexity of optimizing the adversarial prediction formulation over a vast range of non-decomposable metrics. We demonstrate how easy it is to write and incorporate complex custom metrics using our provided tool. Finally, we show the effectiveness of our approach for image classification tasks using MNIST and Fashion-MNIST datasets as well as classification task on tabular data using UCI repository and benchmark datasets.

Training generative adversarial networks requires balancing of delicate adversarial dynamics. Even with careful tuning, training may diverge or end up in a bad equilibrium with dropped modes. In this work, we introduce a new form of latent optimisation inspired by the CS-GAN and show that it improves adversarial dynamics by enhancing interactions between the discriminator and the generator. We develop supporting theoretical analysis from the perspectives of differentiable games and stochastic approximation. Our experiments demonstrate that latent optimisation can significantly improve GAN training, obtaining state-of-the-art performance for the ImageNet ( 128 128) dataset. Our model achieves an Inception Score (IS) of 148 and an Fr echet Inception Distance (FID) of 3.4, an improvement of 17% and 32% in IS and FID respectively, compared with the baseline BigGAN-deep model with the same architecture and number of parameters. Generative Adversarial Nets (GANs) are implicit generative models that can be trained to match a given data distribution. GANs were originally developed by Goodfellow et al. (2014) for image data. As the field of generative modelling has advanced, GANs remain at the frontier, generating high-fidelity images at large scale (Brock et al., 2018).

Matrix sketching is a recently developed data compression technique. An input matrix A is efficiently approximated with a smaller matrix B, so that B preserves most of the properties of A up to some guaranteed approximation ratio. In so doing numerical operations on big data sets become faster. Sketching algorithms generally use random projections to compress the original dataset and this stochastic generation process makes them amenable to statistical analysis. The statistical properties of sketching algorithms have been widely studied in the context of multiple linear regression. In this paper we propose matrix sketching as a tool for rebalancing class sizes in supervised classification with imbalanced classes. It is well-known in fact that class imbalance may lead to poor classification performances especially as far as the minority class is concerned.