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 Uncertainty


Optimal Testing in the Experiment-rich Regime

arXiv.org Machine Learning

Motivated by the widespread adoption of large-scale A/B testing in industry, we propose a new experimentation framework for the setting where potential experiments are abundant (i.e., many hypotheses are available to test), and observations are costly; we refer to this as the experiment-rich regime. Such scenarios require the experimenter to internalize the opportunity cost of assigning a sample to a particular experiment. We fully characterize the optimal policy and give an algorithm to compute it. Furthermore, we develop a simple heuristic that also provides intuition for the optimal policy. We use simulations based on real data to compare both the optimal algorithm and the heuristic to other natural alternative experimental design frameworks. In particular, we discuss the paradox of power: high-powered classical tests can lead to highly inefficient sampling in the experiment-rich regime.


Active and Adaptive Sequential learning

arXiv.org Machine Learning

A framework is introduced for actively and adaptively solving a sequence of machine learning problems, which are changing in bounded manner from one time step to the next. An algorithm is developed that actively queries the labels of the most informative samples from an unlabeled data pool, and that adapts to the change by utilizing the information acquired in the previous steps. Our analysis shows that the proposed active learning algorithm based on stochastic gradient descent achieves a near-optimal excess risk performance for maximum likelihood estimation. Furthermore, an estimator of the change in the learning problems using the active learning samples is constructed, which provides an adaptive sample size selection rule that guarantees the excess risk is bounded for sufficiently large number of time steps. Experiments with synthetic and real data are presented to validate our algorithm and theoretical results.


Forward Amortized Inference for Likelihood-Free Variational Marginalization

arXiv.org Machine Learning

In this paper, we introduce a new form of amortized variational inference by using the forward KL divergence in a joint-contrastive variational loss. The resulting forward amortized variational inference is a likelihood-free method as its gradient can be sampled without bias and without requiring any evaluation of either the model joint distribution or its derivatives. We prove that our new variational loss is optimized by the exact posterior marginals in the fully factorized mean-field approximation, a property that is not shared with the more conventional reverse KL inference. Furthermore, we show that forward amortized inference can be easily marginalized over large families of latent variables in order to obtain a marginalized variational posterior. We consider two examples of variational marginalization. In our first example we train a Bayesian forecaster for predicting a simplified chaotic model of atmospheric convection. In the second example we train an amortized variational approximation of a Bayesian optimal classifier by marginalizing over the model space. The result is a powerful meta-classification network that can solve arbitrary classification problems without further training.


Classification with imperfect training labels

arXiv.org Machine Learning

We study the effect of imperfect training data labels on the performance of classification methods. In a general setting, where the probability that an observation in the training dataset is mislabelled may depend on both the feature vector and the true label, we bound the excess risk of an arbitrary classifier trained with imperfect labels in terms of its excess risk for predicting a noisy label. This reveals conditions under which a classifier trained with imperfect labels remains consistent for classifying uncorrupted test data points. Furthermore, under stronger conditions, we derive detailed asymptotic properties for the popular $k$-nearest neighbour ($k$nn), Support Vector Machine (SVM) and Linear Discriminant Analysis (LDA) classifiers. One consequence of these results is that the $k$nn and SVM classifiers are robust to imperfect training labels, in the sense that the rate of convergence of the excess risks of these classifiers remains unchanged; in fact, it even turns out that in some cases, imperfect labels may improve the performance of these methods. On the other hand, the LDA classifier is shown to be typically inconsistent in the presence of label noise unless the prior probabilities of each class are equal. Our theoretical results are supported by a simulation study.


Kernel embedding of maps for sequential Bayesian inference: The variational mapping particle filter

arXiv.org Machine Learning

In this work, a novel sequential Monte Carlo filter is introduced which aims at efficient sampling of high-dimensional state spaces with a limited number of particles. Particles are pushed forward from the prior to the posterior density using a sequence of mappings that minimizes the Kullback-Leibler divergence between the posterior and the sequence of intermediate densities. The sequence of mappings represents a gradient flow. A key ingredient of the mappings is that they are embedded in a reproducing kernel Hilbert space, which allows for a practical and efficient algorithm. The embedding provides a direct means to calculate the gradient of the Kullback-Leibler divergence leading to quick convergence using well-known gradient-based stochastic optimization algorithms. Evaluation of the method is conducted in the chaotic Lorenz-63 system, the Lorenz-96 system, which is a coarse prototype of atmospheric dynamics, and an epidemic model that describes cholera dynamics. No resampling is required in the mapping particle filter even for long recursive sequences. The number of effective particles remains close to the total number of particles in all the experiments.


Non-bifurcating phylogenetic tree inference via the adaptive LASSO

arXiv.org Machine Learning

Phylogenetic tree inference using deep DNA sequencing is reshaping our understanding of rapidly evolving systems, such as the within-host battle between viruses and the immune system. Densely sampled phylogenetic trees can contain special features, including "sampled ancestors" in which we sequence a genotype along with its direct descendants, and "polytomies" in which multiple descendants arise simultaneously. These features are apparent after identifying zero-length branches in the tree. However, current maximum-likelihood based approaches are not capable of revealing such zero-length branches. In this paper, we find these zero-length branches by introducing adaptive-LASSO-type regularization estimators to phylogenetics, deriving their properties, and showing regularization to be a practically useful approach for phylogenetics.


Dirichlet-based Gaussian Processes for Large-scale Calibrated Classification

arXiv.org Machine Learning

In this paper, we study the problem of deriving fast and accurate classification algorithms with uncertainty quantification. Gaussian process classification provides a principled approach, but the corresponding computational burden is hardly sustainable in large-scale problems and devising efficient alternatives is a challenge. In this work, we investigate if and how Gaussian process regression directly applied to the classification labels can be used to tackle this question. While in this case training time is remarkably faster, predictions need be calibrated for classification and uncertainty estimation. To this aim, we propose a novel approach based on interpreting the labels as the output of a Dirichlet distribution. Extensive experimental results show that the proposed approach provides essentially the same accuracy and uncertainty quantification of Gaussian process classification while requiring only a fraction of computational resources.


Parallel Weight Consolidation: A Brain Segmentation Case Study

arXiv.org Machine Learning

Collecting the large datasets needed to train deep neural networks can be very difficult, particularly for the many applications for which sharing and pooling data is complicated by practical, ethical, or legal concerns. However, it may be the case that derivative datasets or predictive models developed within individual sites can be shared and combined with fewer restrictions. Training on distributed datasets and combining the resulting networks is often viewed as continual learning, but these methods require networks to be trained sequentially. In this paper, we introduce parallel weight consolidation (PWC), a continual learning method to consolidate the weights of neural networks trained in parallel on independent datasets. We perform a brain segmentation case study using PWC to consolidate several dilated convolutional neural networks trained in parallel on independent structural magnetic resonance imaging (sMRI) datasets from different sites. We found that PWC led to increased performance on held-out test sets from the different sites, as well as on a very large and completely independent multi-site dataset. This demonstrates the feasibility of PWC for combining the knowledge learned by networks trained on different datasets.


Bayesian Learning with Wasserstein Barycenters

arXiv.org Machine Learning

Methods in Economics TU Vienna In this work we introduce a novel paradigm for Bayesian learning based on optimal transport theory. Namely, we propose to use the Wasserstein barycenter of the posterior law on models, as an alternative to the maximum a posteriori estimator (MAP) and Bayes predictive distributions. We exhibit conditions granting the existence and consistency of this estimator, discuss some of its basic and specific properties, and propose a numerical approximation relying on standard posterior sampling in general finite-dimensional parameter spaces. We thus also contribute to the recent blooming of applications of optimal transport theory in machine learning, beyond the discrete and semidiscrete settings so far considered. Advantages of the proposed estimator are discussed and illustrated with numerical simulations.


Frequentists Fight Back

@machinelearnbot

Frequentist-leaning statisticians have numerous responses to Bayesian criticisms that may not be widely known. Broadly speaking, these rebuttals assert that Bayesian criticisms of Frequentist approaches rely on circular arguments, are self-refuting, rest mostly on semantics, or are mainly of interest to academics and irrelevant in practice. Below, I've briefly summarized the ones I'm aware of from memory and in my own words. The meaning of the term is often unclear. Is it objective Bayes, subjective Bayes, approximate Bayes, empirical Bayes, or all of the above?