We consider iterative semi-supervised learning (SSL) algorithms that iteratively generate pseudo-labels for a large amount unlabelled data to progressively refine the model parameters. In particular, we seek to understand the behaviour of the {\em generalization error} of iterative SSL algorithms using information-theoretic principles. To obtain bounds that are amenable to numerical evaluation, we first work with a simple model -- namely, the binary Gaussian mixture model. Our theoretical results suggest that when the class conditional variances are not too large, the upper bound on the generalization error decreases monotonically with the number of iterations, but quickly saturates. The theoretical results on the simple model are corroborated by extensive experiments on several benchmark datasets such as the MNIST and CIFAR datasets in which we notice that the generalization error improves after several pseudo-labelling iterations, but saturates afterwards.
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An important limitation of standard multiple testing procedures is that the null distribution should be known. Here, we consider a null distribution-free approach for multiple testing in the following semi-supervised setting: the user does not know the null distribution, but has at hand a sample drawn from this null distribution. In practical situations, this null training sample (NTS) can come from previous experiments, from a part of the data under test, from specific simulations, or from a sampling process. In this work, we present theoretical results that handle such a framework, with a focus on the false discovery rate (FDR) control and the Benjamini-Hochberg (BH) procedure. First, we provide upper and lower bounds for the FDR of the BH procedure based on empirical $p$-values. These bounds match when $\alpha (n+1)/m$ is an integer, where $n$ is the NTS sample size and $m$ is the number of tests. Second, we give a power analysis for that procedure suggesting that the price to pay for ignoring the null distribution is low when $n$ is sufficiently large in front of $m$; namely $n\gtrsim m/(\max(1,k))$, where $k$ denotes the number of ``detectable'' alternatives. Third, to complete the picture, we also present a negative result that evidences an intrinsic transition phase to the general semi-supervised multiple testing problem {and shows that the empirical BH method is optimal in the sense that its performance boundary follows this transition phase}. Our theoretical properties are supported by numerical experiments, which also show that the delineated boundary is of correct order without further tuning any constant. Finally, we demonstrate that our work provides a theoretical ground for standard practice in astronomical data analysis, and in particular for the procedure proposed in \cite{Origin2020} for galaxy detection.
We derive information-theoretic generalization bounds for supervised learning algorithms based on the information contained in predictions rather than in the output of the training algorithm. These bounds improve over the existing information-theoretic bounds, are applicable to a wider range of algorithms, and solve two key challenges: (a) they give meaningful results for deterministic algorithms and (b) they are significantly easier to estimate. We show experimentally that the proposed bounds closely follow the generalization gap in practical scenarios for deep learning.
This book develops an effective theory approach to understanding deep neural networks of practical relevance. Beginning from a first-principles component-level picture of networks, we explain how to determine an accurate description of the output of trained networks by solving layer-to-layer iteration equations and nonlinear learning dynamics. A main result is that the predictions of networks are described by nearly-Gaussian distributions, with the depth-to-width aspect ratio of the network controlling the deviations from the infinite-width Gaussian description. We explain how these effectively-deep networks learn nontrivial representations from training and more broadly analyze the mechanism of representation learning for nonlinear models. From a nearly-kernel-methods perspective, we find that the dependence of such models' predictions on the underlying learning algorithm can be expressed in a simple and universal way. To obtain these results, we develop the notion of representation group flow (RG flow) to characterize the propagation of signals through the network. By tuning networks to criticality, we give a practical solution to the exploding and vanishing gradient problem. We further explain how RG flow leads to near-universal behavior and lets us categorize networks built from different activation functions into universality classes. Altogether, we show that the depth-to-width ratio governs the effective model complexity of the ensemble of trained networks. By using information-theoretic techniques, we estimate the optimal aspect ratio at which we expect the network to be practically most useful and show how residual connections can be used to push this scale to arbitrary depths. With these tools, we can learn in detail about the inductive bias of architectures, hyperparameters, and optimizers.
Semi-supervised learning on class-imbalanced data, although a realistic problem, has been under studied. While existing semi-supervised learning (SSL) methods are known to perform poorly on minority classes, we find that they still generate high precision pseudo-labels on minority classes. By exploiting this property, in this work, we propose Class-Rebalancing Self-Training (CReST), a simple yet effective framework to improve existing SSL methods on class-imbalanced data. CReST iteratively retrains a baseline SSL model with a labeled set expanded by adding pseudo-labeled samples from an unlabeled set, where pseudo-labeled samples from minority classes are selected more frequently according to an estimated class distribution. We also propose a progressive distribution alignment to adaptively adjust the rebalancing strength dubbed CReST+. We show that CReST and CReST+ improve state-of-the-art SSL algorithms on various class-imbalanced datasets and consistently outperform other popular rebalancing methods.
There has been appreciable progress in unsupervised network representation learning (UNRL) approaches over graphs recently with flexible random-walk approaches, new optimization objectives and deep architectures. However, there is no common ground for systematic comparison of embeddings to understand their behavior for different graphs and tasks. In this paper we theoretically group different approaches under a unifying framework and empirically investigate the effectiveness of different network representation methods. In particular, we argue that most of the UNRL approaches either explicitly or implicit model and exploit context information of a node. Consequently, we propose a framework that casts a variety of approaches -- random walk based, matrix factorization and deep learning based -- into a unified context-based optimization function. We systematically group the methods based on their similarities and differences. We study the differences among these methods in detail which we later use to explain their performance differences (on downstream tasks). We conduct a large-scale empirical study considering 9 popular and recent UNRL techniques and 11 real-world datasets with varying structural properties and two common tasks -- node classification and link prediction. We find that there is no single method that is a clear winner and that the choice of a suitable method is dictated by certain properties of the embedding methods, task and structural properties of the underlying graph. In addition we also report the common pitfalls in evaluation of UNRL methods and come up with suggestions for experimental design and interpretation of results.
Continual learning aims to improve the ability of modern learning systems to deal with non-stationary distributions, typically by attempting to learn a series of tasks sequentially. Prior art in the field has largely considered supervised or reinforcement learning tasks, and often assumes full knowledge of task labels and boundaries. In this work, we propose an approach (CURL) to tackle a more general problem that we will refer to as unsupervised continual learning. The focus is on learning representations without any knowledge about task identity, and we explore scenarios when there are abrupt changes between tasks, smooth transitions from one task to another, or even when the data is shuffled. The proposed approach performs task inference directly within the model, is able to dynamically expand to capture new concepts over its lifetime, and incorporates additional rehearsal-based techniques to deal with catastrophic forgetting. We demonstrate the efficacy of CURL in an unsupervised learning setting with MNIST and Omniglot, where the lack of labels ensures no information is leaked about the task. Further, we demonstrate strong performance compared to prior art in an i.i.d setting, or when adapting the technique to supervised tasks such as incremental class learning.
This work tackles the problem of semi-supervised learning of image classifiers. Our main insight is that the field of semi-supervised learning can benefit from the quickly advancing field of self-supervised visual representation learning. Unifying these two approaches, we propose the framework of self-supervised semi-supervised learning ($S^4L$) and use it to derive two novel semi-supervised image classification methods. We demonstrate the effectiveness of these methods in comparison to both carefully tuned baselines, and existing semi-supervised learning methods. We then show that $S^4L$ and existing semi-supervised methods can be jointly trained, yielding a new state-of-the-art result on semi-supervised ILSVRC-2012 with 10% of labels.
Data augmentation is rapidly gaining attention in machine learning. Synthetic data can be generated by simple transformations or through the data distribution. In the latter case, the main challenge is to estimate the label associated to new synthetic patterns. This paper studies the effect of generating synthetic data by convex combination of patterns and the use of these as unsupervised information in a semi-supervised learning framework with support vector machines, avoiding thus the need to label synthetic examples. We perform experiments on a total of 53 binary classification datasets. Our results show that this type of data over-sampling supports the well-known cluster assumption in semi-supervised learning, showing outstanding results for small high-dimensional datasets and imbalanced learning problems.
We propose a new method of estimation in topic models, that is not a variation on the existing simplex finding algorithms, and that estimates the number of topics K from the observed data. We derive new finite sample minimax lower bounds for the estimation of A, as well as new upper bounds for our proposed estimator. We describe the scenarios where our estimator is minimax adaptive. Our finite sample analysis is valid for any number of documents (n), individual document length (N_i), dictionary size (p) and number of topics (K), and both p and K are allowed to increase with n, a situation not handled well by previous analyses. We complement our theoretical results with a detailed simulation study. We illustrate that the new algorithm is faster and more accurate than the current ones, although we start out with a computational and theoretical disadvantage of not knowing the correct number of topics K, while we provide the competing methods with the correct value in our simulations.
A major goal of unsupervised learning is to discover data representations that are useful for subsequent tasks, without access to supervised labels during training. Typically, this goal is approached by minimizing a surrogate objective, such as the negative log likelihood of a generative model, with the hope that representations useful for subsequent tasks will arise incidentally. In this work, we propose instead to directly target a later desired task by meta-learning an unsupervised learning rule, which leads to representations useful for that task. Here, our desired task (meta-objective) is the performance of the representation on semi-supervised classification, and we meta-learn an algorithm -- an unsupervised weight update rule -- that produces representations that perform well under this meta-objective. Additionally, we constrain our unsupervised update rule to a be a biologically-motivated, neuron-local function, which enables it to generalize to novel neural network architectures. We show that the meta-learned update rule produces useful features and sometimes outperforms existing unsupervised learning techniques. We further show that the meta-learned unsupervised update rule generalizes to train networks with different widths, depths, and nonlinearities. It also generalizes to train on data with randomly permuted input dimensions and even generalizes from image datasets to a text task.
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