Self-Attention Between Datapoints: Going Beyond Individual Input-Output Pairs in Deep Learning

We challenge a common assumption underlying most supervised deep learning: that a model makes a prediction depending only on its parameters and the features of a single input. To this end, we introduce a general-purpose deep learning architecture that takes as input the entire dataset instead of processing one datapoint at a time. Our approach uses self-attention to reason about relationships between datapoints explicitly, which can be seen as realizing non-parametric models using parametric attention mechanisms. However, unlike conventional non-parametric models, we let the model learn end-to-end from the data how to make use of other datapoints for prediction. Empirically, our models solve cross-datapoint lookup and complex reasoning tasks unsolvable by traditional deep learning models. We show highly competitive results on tabular data, early results on CIFAR-10, and give insight into how the model makes use of the interactions between points.

Provable Guarantees on the Robustness of Decision Rules to Causal Interventions

Robustness of decision rules to shifts in the data-generating process is crucial to the successful deployment of decision-making systems. Such shifts can be viewed as interventions on a causal graph, which capture (possibly hypothetical) changes in the data-generating process, whether due to natural reasons or by the action of an adversary. We consider causal Bayesian networks and formally define the interventional robustness problem, a novel model-based notion of robustness for decision functions that measures worst-case performance with respect to a set of interventions that denote changes to parameters and/or causal influences. By relying on a tractable representation of Bayesian networks as arithmetic circuits, we provide efficient algorithms for computing guaranteed upper and lower bounds on the interventional robustness probabilities. Experimental results demonstrate that the methods yield useful and interpretable bounds for a range of practical networks, paving the way towards provably causally robust decision-making systems.

Robustness to Pruning Predicts Generalization in Deep Neural Networks

Existing generalization measures that aim to capture a model's simplicity based on parameter counts or norms fail to explain generalization in overparameterized deep neural networks. In this paper, we introduce a new, theoretically motivated measure of a network's simplicity which we call prunability: the smallest \emph{fraction} of the network's parameters that can be kept while pruning without adversely affecting its training loss. We show that this measure is highly predictive of a model's generalization performance across a large set of convolutional networks trained on CIFAR-10, does not grow with network size unlike existing pruning-based measures, and exhibits high correlation with test set loss even in a particularly challenging double descent setting. Lastly, we show that the success of prunability cannot be explained by its relation to known complexity measures based on models' margin, flatness of minima and optimization speed, finding that our new measure is similar to -- but more predictive than -- existing flatness-based measures, and that its predictions exhibit low mutual information with those of other baselines.

On The Effect of Auxiliary Tasks on Representation Dynamics

While auxiliary tasks play a key role in shaping the representations learnt by reinforcement learning agents, much is still unknown about the mechanisms through which this is achieved. This work develops our understanding of the relationship between auxiliary tasks, environment structure, and representations by analysing the dynamics of temporal difference algorithms. Through this approach, we establish a connection between the spectral decomposition of the transition operator and the representations induced by a variety of auxiliary tasks. We then leverage insights from these theoretical results to inform the selection of auxiliary tasks for deep reinforcement learning agents in sparse-reward environments.

PsiPhi-Learning: Reinforcement Learning with Demonstrations using Successor Features and Inverse Temporal Difference Learning

We study reinforcement learning (RL) with no-reward demonstrations, a setting in which an RL agent has access to additional data from the interaction of other agents with the same environment. However, it has no access to the rewards or goals of these agents, and their objectives and levels of expertise may vary widely. These assumptions are common in multi-agent settings, such as autonomous driving. To effectively use this data, we turn to the framework of successor features. This allows us to disentangle shared features and dynamics of the environment from agent-specific rewards and policies. We propose a multi-task inverse reinforcement learning (IRL) algorithm, called \emph{inverse temporal difference learning} (ITD), that learns shared state features, alongside per-agent successor features and preference vectors, purely from demonstrations without reward labels. We further show how to seamlessly integrate ITD with learning from online environment interactions, arriving at a novel algorithm for reinforcement learning with demonstrations, called $\Psi \Phi$-learning (pronounced `Sci-Fi'). We provide empirical evidence for the effectiveness of $\Psi \Phi$-learning as a method for improving RL, IRL, imitation, and few-shot transfer, and derive worst-case bounds for its performance in zero-shot transfer to new tasks.

A Bayesian Perspective on Training Speed and Model Selection

We take a Bayesian perspective to illustrate a connection between training speed and the marginal likelihood in linear models. This provides two major insights: first, that a measure of a model's training speed can be used to estimate its marginal likelihood. Second, that this measure, under certain conditions, predicts the relative weighting of models in linear model combinations trained to minimize a regression loss. We verify our results in model selection tasks for linear models and for the infinite-width limit of deep neural networks. We further provide encouraging empirical evidence that the intuition developed in these settings also holds for deep neural networks trained with stochastic gradient descent. Our results suggest a promising new direction towards explaining why neural networks trained with stochastic gradient descent are biased towards functions that generalize well.

Revisiting the Train Loss: an Efficient Performance Estimator for Neural Architecture Search

Reliable yet efficient evaluation of generalisation performance of a proposed architecture is crucial to the success of neural architecture search (NAS). Traditional approaches face a variety of limitations: training each architecture to completion is prohibitively expensive, early stopping estimates may correlate poorly with fully trained performance, and model-based estimators require large training sets. Instead, motivated by recent results linking training speed and generalisation with stochastic gradient descent, we propose to estimate the final test performance based on the sum of training losses. Our estimator is inspired by the marginal likelihood, which is used for Bayesian model selection. Our model-free estimator is simple, efficient, and cheap to implement, and does not require hyperparameter-tuning or surrogate training before deployment. We demonstrate empirically that our estimator consistently outperforms other baselines and can achieve a rank correlation of 0.95 with final test accuracy on the NAS-Bench201 dataset within 50 epochs.

On the Benefits of Invariance in Neural Networks

Many real world data analysis problems exhibit invariant structure, and models that take advantage of this structure have shown impressive empirical performance, particularly in deep learning. While the literature contains a variety of methods to incorporate invariance into models, theoretical understanding is poor and there is no way to assess when one method should be preferred over another. In this work, we analyze the benefits and limitations of two widely used approaches in deep learning in the presence of invariance: data augmentation and feature averaging. We prove that training with data augmentation leads to better estimates of risk and gradients thereof, and we provide a PAC-Bayes generalization bound for models trained with data augmentation. We also show that compared to data augmentation, feature averaging reduces generalization error when used with convex losses, and tightens PAC-Bayes bounds. We provide empirical support of these theoretical results, including a demonstration of why generalization may not improve by training with data augmentation: the `learned invariance' fails outside of the training distribution.

Unpacking Information Bottlenecks: Unifying Information-Theoretic Objectives in Deep Learning

The information bottleneck (IB) principle offers both a mechanism to explain how deep neural networks train and generalize, as well as a regularized objective with which to train models. However, multiple competing objectives have been proposed based on this principle, and the information-theoretic quantities in these objectives are difficult to compute for large deep neural networks. This, in turn, limits their use as a training objective. In this work, we review these quantities, compare and unify previously proposed objectives and relate them to surrogate objectives more friendly to optimization. We find that these surrogate objectives allow us to apply the information bottleneck to modern neural network architectures. We demonstrate our insights on Permutation-MNIST, MNIST and CIFAR10.

Invariant Causal Prediction for Block MDPs

Generalization across environments is critical to the successful application of reinforcement learning algorithms to real-world challenges. In this paper, we consider the problem of learning abstractions that generalize in block MDPs, families of environments with a shared latent state space and dynamics structure over that latent space, but varying observations. We leverage tools from causal inference to propose a method of invariant prediction to learn model-irrelevance state abstractions (MISA) that generalize to novel observations in the multi-environment setting. We prove that for certain classes of environments, this approach outputs with high probability a state abstraction corresponding to the causal feature set with respect to the return. We further provide more general bounds on model error and generalization error in the multi-environment setting, in the process showing a connection between causal variable selection and the state abstraction framework for MDPs. We give empirical evidence that our methods work in both linear and nonlinear settings, attaining improved generalization over single- and multi-task baselines.