Automatic Data Augmentation via Invariance-Constrained Learning

Underlying data structures, such as symmetries or invariances to transformations, are often exploited to improve the solution of learning tasks. However, embedding these properties in models or learning algorithms can be challenging and computationally intensive. Data augmentation, on the other hand, induces these symmetries during training by applying multiple transformations to the input data. Despite its ubiquity, its effectiveness depends on the choices of which transformations to apply, when to do so, and how often. In fact, there is both empirical and theoretical evidence that the indiscriminate use of data augmentation can introduce biases that outweigh its benefits. This work tackles these issues by automatically adapting the data augmentation while solving the learning task. To do so, it formulates data augmentation as an invariance-constrained learning problem and leverages Monte Carlo Markov Chain (MCMC) sampling to solve it. The result is a practical algorithm that not only does away with a priori searches for augmentation distributions, but also dynamically controls if and when data augmentation is applied. Our experiments illustrate the performance of this method, which achieves state-of-the-art results in automatic data augmentation benchmarks for CIFAR datasets. Furthermore, this approach can be used to gather insights on the actual symmetries underlying a learning task.

Probabilistically Robust Learning: Balancing Average- and Worst-case Performance

Many of the successes of machine learning are based on minimizing an averaged loss function. However, it is well-known that this paradigm suffers from robustness issues that hinder its applicability in safety-critical domains. These issues are often addressed by training against worst-case perturbations of data, a technique known as adversarial training. Although empirically effective, adversarial training can be overly conservative, leading to unfavorable trade-offs between nominal performance and robustness. To this end, in this paper we propose a framework called probabilistic robustness that bridges the gap between the accurate, yet brittle average case and the robust, yet conservative worst case by enforcing robustness to most rather than to all perturbations. From a theoretical point of view, this framework overcomes the trade-offs between the performance and the sample-complexity of worst-case and average-case learning. From a practical point of view, we propose a novel algorithm based on risk-aware optimization that effectively balances average- and worst-case performance at a considerably lower computational cost relative to adversarial training. Our results on MNIST, CIFAR-10, and SVHN illustrate the advantages of this framework on the spectrum from average- to worst-case robustness.

Transferability Properties of Graph Neural Networks

Graph neural networks (GNNs) are deep convolutional architectures consisting of layers composed by graph convolutions and pointwise nonlinearities. Due to their invariance and stability properties, GNNs are provably successful at learning representations from network data. However, training them requires matrix computations which can be expensive for large graphs. To address this limitation, we investigate the ability of GNNs to be transferred across graphs. We consider graphons, which are both graph limits and generative models for weighted and stochastic graphs, to define limit objects of graph convolutions and GNNs -- graphon convolutions and graphon neural networks (WNNs) -- which we use as generative models for graph convolutions and GNNs. We show that these graphon filters and WNNs can be approximated by graph filters and GNNs sampled from them on weighted and stochastic graphs. Using these results, we then derive error bounds for transferring graph filters and GNNs across such graphs. These bounds show that transferability increases with the graph size, and reveal a tradeoff between transferability and spectral discriminability which in GNNs is alleviated by the pointwise nonlinearities. These findings are further verified empirically in numerical experiments in movie recommendation and decentralized robot control.

Adversarial Robustness with Semi-Infinite Constrained Learning

Despite strong performance in numerous applications, the fragility of deep learning to input perturbations has raised serious questions about its use in safety-critical domains. While adversarial training can mitigate this issue in practice, state-of-the-art methods are increasingly application-dependent, heuristic in nature, and suffer from fundamental trade-offs between nominal performance and robustness. Moreover, the problem of finding worst-case perturbations is non-convex and underparameterized, both of which engender a non-favorable optimization landscape. Thus, there is a gap between the theory and practice of adversarial training, particularly with respect to when and why adversarial training works. In this paper, we take a constrained learning approach to address these questions and to provide a theoretical foundation for robust learning. In particular, we leverage semi-infinite optimization and non-convex duality theory to show that adversarial training is equivalent to a statistical problem over perturbation distributions, which we characterize completely. Notably, we show that a myriad of previous robust training techniques can be recovered for particular, sub-optimal choices of these distributions. Using these insights, we then propose a hybrid Langevin Monte Carlo approach of which several common algorithms (e.g., PGD) are special cases. Finally, we show that our approach can mitigate the trade-off between nominal and robust performance, yielding state-of-the-art results on MNIST and CIFAR-10. Our code is available at: https://github.com/arobey1/advbench.

Constrained Learning with Non-Convex Losses

Though learning has become a core technology of modern information processing, there is now ample evidence that it can lead to biased, unsafe, and prejudiced solutions. The need to impose requirements on learning is therefore paramount, especially as it reaches critical applications in social, industrial, and medical domains. However, the non-convexity of most modern learning problems is only exacerbated by the introduction of constraints. Whereas good unconstrained solutions can often be learned using empirical risk minimization (ERM), even obtaining a model that satisfies statistical constraints can be challenging, all the more so a good one. In this paper, we overcome this issue by learning in the empirical dual domain, where constrained statistical learning problems become unconstrained, finite dimensional, and deterministic. We analyze the generalization properties of this approach by bounding the empirical duality gap, i.e., the difference between our approximate, tractable solution and the solution of the original (non-convex)~statistical problem, and provide a practical constrained learning algorithm. These results establish a constrained counterpart of classical learning theory and enable the explicit use of constraints in learning. We illustrate this algorithm and theory in rate-constrained learning applications.

Towards Safe Continuing Task Reinforcement Learning

Safety is a critical feature of controller design for physical systems. When designing control policies, several approaches to guarantee this aspect of autonomy have been proposed, such as robust controllers or control barrier functions. However, these solutions strongly rely on the model of the system being available to the designer. As a parallel development, reinforcement learning provides model-agnostic control solutions but in general, it lacks the theoretical guarantees required for safety. Recent advances show that under mild conditions, control policies can be learned via reinforcement learning, which can be guaranteed to be safe by imposing these requirements as constraints of an optimization problem. However, to transfer from learning safety to learning safely, there are two hurdles that need to be overcome: (i) it has to be possible to learn the policy without having to re-initialize the system; and (ii) the rollouts of the system need to be in themselves safe. In this paper, we tackle the first issue, proposing an algorithm capable of operating in the continuing task setting without the need of restarts. We evaluate our approach in a numerical example, which shows the capabilities of the proposed approach in learning safe policies via safe exploration.

State Augmented Constrained Reinforcement Learning: Overcoming the Limitations of Learning with Rewards

Constrained reinforcement learning involves multiple rewards that must individually accumulate to given thresholds. In this class of problems, we show a simple example in which the desired optimal policy cannot be induced by any linear combination of rewards. Hence, there exist constrained reinforcement learning problems for which neither regularized nor classical primal-dual methods yield optimal policies. This work addresses this shortcoming by augmenting the state with Lagrange multipliers and reinterpreting primal-dual methods as the portion of the dynamics that drives the multipliers evolution. This approach provides a systematic state augmentation procedure that is guaranteed to solve reinforcement learning problems with constraints. Thus, while primal-dual methods can fail at finding optimal policies, running the dual dynamics while executing the augmented policy yields an algorithm that provably samples actions from the optimal policy.

Trust but Verify: Assigning Prediction Credibility by Counterfactual Constrained Learning

Prediction credibility measures, in the form of confidence intervals or probability distributions, are fundamental in statistics and machine learning to characterize model robustness, detect out-of-distribution samples (outliers), and protect against adversarial attacks. To be effective, these measures should (i) account for the wide variety of models used in practice, (ii) be computable for trained models or at least avoid modifying established training procedures, (iii) forgo the use of data, which can expose them to the same robustness issues and attacks as the underlying model, and (iv) be followed by theoretical guarantees. These principles underly the framework developed in this work, which expresses the credibility as a risk-fit trade-off, i.e., a compromise between how much can fit be improved by perturbing the model input and the magnitude of this perturbation (risk). Using a constrained optimization formulation and duality theory, we analyze this compromise and show that this balance can be determined counterfactually, without having to test multiple perturbations. This results in an unsupervised, a posteriori method of assigning prediction credibility for any (possibly non-convex) differentiable model, from RKHS-based solutions to any architecture of (feedforward, convolutional, graph) neural network. Its use is illustrated in data filtering and defense against adversarial attacks.

Probably Approximately Correct Constrained Learning

As learning solutions reach critical applications in social, industrial, and medical domains, the need to curtail their behavior becomes paramount. There is now ample evidence that without explicit tailoring, learning can lead to biased, unsafe, and prejudiced solutions. To tackle these problems, we develop a generalization theory of constrained learning based on the probably approximately correct (PAC) learning framework. In particular, we show that imposing requirements does not make a learning problem harder in the sense that any PAC learnable class is also PAC constrained learnable using a constrained counterpart of the empirical risk minimization (ERM) rule. For typical parametrized models, however, this learner involves solving a non-convex optimization program for which even obtaining a feasible solution may be hard. To overcome this issue, we prove that under mild conditions the empirical dual problem of constrained learning is also a PAC constrained learner that now leads to a practical constrained learning algorithm. We analyze the generalization properties of this solution and use it to illustrate how constrained learning can address problems in fair and robust classification.

Graphon Neural Networks and the Transferability of Graph Neural Networks

Graph neural networks (GNNs) rely on graph convolutions to extract local features from network data. These graph convolutions combine information from adjacent nodes using coefficients that are shared across all nodes. As a byproduct, coefficients can also be transferred to different graphs, thereby motivating the analysis of transferability across graphs. In this paper we introduce graphon NNs as limit objects of GNNs and prove a bound on the difference between the output of a GNN and its limit graphon-NN. This bound vanishes with growing number of nodes if the graph convolutional filters are bandlimited in the graph spectral domain. This result establishes a tradeoff between discriminability and transferability of GNNs.