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Self-training, a semi-supervised learning algorithm, leverages a large amount of unlabeled data to improve learning when the labeled data are limited. Despite empirical successes, its theoretical characterization remains elusive. To the best of our knowledge, this work establishes the first theoretical analysis for the known iterative self-training paradigm and proves the benefits of unlabeled data in both training convergence and generalization ability. To make our theoretical analysis feasible, we focus on the case of one-hidden-layer neural networks. However, theoretical understanding of iterative self-training is non-trivial even for a shallow neural network. One of the key challenges is that existing neural network landscape analysis built upon supervised learning no longer holds in the (semi-supervised) self-training paradigm. We address this challenge and prove that iterative self-training converges linearly with both convergence rate and generalization accuracy improved in the order of $1/\sqrt{M}$, where $M$ is the number of unlabeled samples. Experiments from shallow neural networks to deep neural networks are also provided to justify the correctness of our established theoretical insights on self-training.

Safety is a critical component of autonomous systems and remains a challenge for learning-based policies to be utilized in the real world. In particular, policies learned using reinforcement learning often fail to generalize to novel environments due to unsafe behavior. In this paper, we propose Sim-to-Lab-to-Real to safely close the reality gap. To improve safety, we apply a dual policy setup where a performance policy is trained using the cumulative task reward and a backup (safety) policy is trained by solving the reach-avoid Bellman Equation based on Hamilton-Jacobi reachability analysis. In Sim-to-Lab transfer, we apply a supervisory control scheme to shield unsafe actions during exploration; in Lab-to-Real transfer, we leverage the Probably Approximately Correct (PAC)-Bayes framework to provide lower bounds on the expected performance and safety of policies in unseen environments. We empirically study the proposed framework for ego-vision navigation in two types of indoor environments including a photo-realistic one. We also demonstrate strong generalization performance through hardware experiments in real indoor spaces with a quadrupedal robot. See //sites.google.com/princeton.edu/sim-to-lab-to-real for supplementary material.

In this work we propose and unify classes of different models for information propagation over graphs. In a first class, propagation is modeled as a wave which emanates from a set of known nodes at an initial time, to all other unknown nodes at later times with an ordering determined by the time at which the information wave front reaches nodes. A second class of models is based on the notion of a travel time along paths between nodes. The time of information propagation from an initial known set of nodes to a node is defined as the minimum of a generalized travel time over subsets of all admissible paths. A final class is given by imposing a local equation of an eikonal form at each unknown node, with boundary conditions at the known nodes. The solution value of the local equation at a node is coupled the neighbouring nodes with smaller solution values. We provide precise formulations of the model classes in this graph setting, and prove equivalences between them. Motivated by the connection between first arrival time model and the eikonal equation in the continuum setting, we demonstrate that for graphs in the particular form of grids in Euclidean space mean field limits under grid refinement of certain graph models lead to Hamilton-Jacobi PDEs. For a specific parameter setting, we demonstrate that the solution on the grid approximates the Euclidean distance.

We target open-world feature extrapolation problem where the feature space of input data goes through expansion and a model trained on partially observed features needs to handle new features in test data without further retraining. The problem is of much significance for dealing with features incrementally collected from different fields. To this end, we propose a new learning paradigm with graph representation and learning. Our framework contains two modules: 1) a backbone network (e.g., feedforward neural nets) as a lower model takes features as input and outputs predicted labels; 2) a graph neural network as an upper model learns to extrapolate embeddings for new features via message passing over a feature-data graph built from observed data. Based on our framework, we design two training strategies, a self-supervised approach and an inductive learning approach, to endow the model with extrapolation ability and alleviate feature-level over-fitting. We also provide theoretical analysis on the generalization error on test data with new features, which dissects the impact of training features and algorithms on generalization performance. Our experiments over several classification datasets and large-scale advertisement click prediction datasets demonstrate that our model can produce effective embeddings for unseen features and significantly outperforms baseline methods that adopt KNN and local aggregation.

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.

Classic machine learning methods are built on the $i.i.d.$ assumption that training and testing data are independent and identically distributed. However, in real scenarios, the $i.i.d.$ assumption can hardly be satisfied, rendering the sharp drop of classic machine learning algorithms' performances under distributional shifts, which indicates the significance of investigating the Out-of-Distribution generalization problem. Out-of-Distribution (OOD) generalization problem addresses the challenging setting where the testing distribution is unknown and different from the training. This paper serves as the first effort to systematically and comprehensively discuss the OOD generalization problem, from the definition, methodology, evaluation to the implications and future directions. Firstly, we provide the formal definition of the OOD generalization problem. Secondly, existing methods are categorized into three parts based on their positions in the whole learning pipeline, namely unsupervised representation learning, supervised model learning and optimization, and typical methods for each category are discussed in detail. We then demonstrate the theoretical connections of different categories, and introduce the commonly used datasets and evaluation metrics. Finally, we summarize the whole literature and raise some future directions for OOD generalization problem. The summary of OOD generalization methods reviewed in this survey can be found at //out-of-distribution-generalization.com.

Multi-task learning (MTL) aims to improve the generalization of several related tasks by learning them jointly. As a comparison, in addition to the joint training scheme, modern meta-learning allows unseen tasks with limited labels during the test phase, in the hope of fast adaptation over them. Despite the subtle difference between MTL and meta-learning in the problem formulation, both learning paradigms share the same insight that the shared structure between existing training tasks could lead to better generalization and adaptation. In this paper, we take one important step further to understand the close connection between these two learning paradigms, through both theoretical analysis and empirical investigation. Theoretically, we first demonstrate that MTL shares the same optimization formulation with a class of gradient-based meta-learning (GBML) algorithms. We then prove that for over-parameterized neural networks with sufficient depth, the learned predictive functions of MTL and GBML are close. In particular, this result implies that the predictions given by these two models are similar over the same unseen task. Empirically, we corroborate our theoretical findings by showing that, with proper implementation, MTL is competitive against state-of-the-art GBML algorithms on a set of few-shot image classification benchmarks. Since existing GBML algorithms often involve costly second-order bi-level optimization, our first-order MTL method is an order of magnitude faster on large-scale datasets such as mini-ImageNet. We believe this work could help bridge the gap between these two learning paradigms, and provide a computationally efficient alternative to GBML that also supports fast task adaptation.

We study the problem of learning in the stochastic shortest path (SSP) setting, where an agent seeks to minimize the expected cost accumulated before reaching a goal state. We design a novel model-based algorithm EB-SSP that carefully skews the empirical transitions and perturbs the empirical costs with an exploration bonus to guarantee both optimism and convergence of the associated value iteration scheme. We prove that EB-SSP achieves the minimax regret rate $\widetilde{O}(B_{\star} \sqrt{S A K})$, where $K$ is the number of episodes, $S$ is the number of states, $A$ is the number of actions and $B_{\star}$ bounds the expected cumulative cost of the optimal policy from any state, thus closing the gap with the lower bound. Interestingly, EB-SSP obtains this result while being parameter-free, i.e., it does not require any prior knowledge of $B_{\star}$, nor of $T_{\star}$ which bounds the expected time-to-goal of the optimal policy from any state. Furthermore, we illustrate various cases (e.g., positive costs, or general costs when an order-accurate estimate of $T_{\star}$ is available) where the regret only contains a logarithmic dependence on $T_{\star}$, thus yielding the first horizon-free regret bound beyond the finite-horizon MDP setting.

Self-training algorithms, which train a model to fit pseudolabels predicted by another previously-learned model, have been very successful for learning with unlabeled data using neural networks. However, the current theoretical understanding of self-training only applies to linear models. This work provides a unified theoretical analysis of self-training with deep networks for semi-supervised learning, unsupervised domain adaptation, and unsupervised learning. At the core of our analysis is a simple but realistic ``expansion'' assumption, which states that a low-probability subset of the data must expand to a neighborhood with large probability relative to the subset. We also assume that neighborhoods of examples in different classes have minimal overlap. We prove that under these assumptions, the minimizers of population objectives based on self-training and input-consistency regularization will achieve high accuracy with respect to ground-truth labels. By using off-the-shelf generalization bounds, we immediately convert this result to sample complexity guarantees for neural nets that are polynomial in the margin and Lipschitzness. Our results help explain the empirical successes of recently proposed self-training algorithms which use input consistency regularization.

We investigate how the final parameters found by stochastic gradient descent are influenced by over-parameterization. We generate families of models by increasing the number of channels in a base network, and then perform a large hyper-parameter search to study how the test error depends on learning rate, batch size, and network width. We find that the optimal SGD hyper-parameters are determined by a "normalized noise scale," which is a function of the batch size, learning rate, and initialization conditions. In the absence of batch normalization, the optimal normalized noise scale is directly proportional to width. Wider networks, with their higher optimal noise scale, also achieve higher test accuracy. These observations hold for MLPs, ConvNets, and ResNets, and for two different parameterization schemes ("Standard" and "NTK"). We observe a similar trend with batch normalization for ResNets. Surprisingly, since the largest stable learning rate is bounded, the largest batch size consistent with the optimal normalized noise scale decreases as the width increases.