OATML

Artificial Intelligence (AI) systems have made remarkable progress, attaining super-human performance across various domains. This presents us with an opportunity to further human knowledge and improve human expert performance by leveraging the hidden knowledge encoded within these highly performant AI systems. Yet, this knowledge is often hard to extract, and may be hard to understand or learn from. Here, we show that this is possible by proposing a new method that allows us to extract new chess concepts in AlphaZero, an AI system that mastered the game of chess via self-play without human supervision. Our analysis indicates that AlphaZero may encode knowledge that extends beyond the existing human knowledge, but knowledge that is ultimately not beyond human grasp, and can be successfully learned from. In a human study, we show that these concepts are learnable by top human experts, as four top chess grandmasters show improvements in solving the presented concept prototype posi... [full abstract]

High-quality estimates of uncertainty and robustness are crucial for numerous real-world applications, especially for deep learning which underlies many deployed ML systems. The ability to compare techniques for improving these estimates is therefore very important for research and practice alike. Yet, competitive comparisons of methods are often lacking due to a range of reasons, including: compute availability for extensive tuning, incorporation of sufficiently many baselines, and concrete documentation for reproducibility. In this paper we introduce Uncertainty Baselines: high-quality implementations of standard and state-of-the-art deep learning methods on a variety of tasks. As of this writing, the collection spans 19 methods across 9 tasks, each with at least 5 metrics. Each baseline is a self-contained experiment pipeline with easily reusable and extendable components. Our goal is to provide immediate starting points for experimentation with new methods or applications. A... [full abstract]

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.

Counterfactual explanations (CEs) are a practical tool for demonstrating why machine learning classifiers make particular decisions. For CEs to be useful, it is important that they are easy for users to interpret. Existing methods for generating interpretable CEs rely on auxiliary generative models, which may not be suitable for complex datasets, and incur engineering overhead. We introduce a simple and fast method for generating interpretable CEs in a white-box setting without an auxiliary model, by using the predictive uncertainty of the classifier. Our experiments show that our proposed algorithm generates more interpretable CEs, according to IM1 scores, than existing methods. Additionally, our approach allows us to estimate the uncertainty of a CE, which may be important in safety-critical applications, such as those in the medical domain.

Current neural architecture search (NAS) strategies focus only on finding a single, good, architecture. They offer little insight into why a specific network is performing well, or how we should modify the architecture if we want further improvements. We propose a Bayesian optimisation (BO) approach for NAS that combines the Weisfeiler-Lehman graph kernel with a Gaussian process surrogate. Our method not only optimises the architecture in a highly data-efficient manner, but also affords interpretability by discovering useful network features and their corresponding impact on the network performance. Moreover, our method is capable of capturing the topological structures of the architectures and is scalable to large graphs, thus making the high-dimensional and graph-like search spaces amenable to BO. We demonstrate empirically that our surrogate model is capable of identifying useful motifs which can guide the generation of new architectures. We finally show that our method outpe... [full abstract]

Variational autoencoders (VAEs) have recently been shown to be vulnerable to adversarial attacks, wherein they are fooled into reconstructing a chosen target image. However, how to defend against such attacks remains an open problem. We make significant advances in addressing this issue by introducing methods for producing adversarially robust VAEs. Namely, we first demonstrate that methods proposed to obtain disentangled latent representations produce VAEs that are more robust to these attacks. However, this robustness comes at the cost of reducing the quality of the reconstructions. We ameliorate this by applying disentangling methods to hierarchical VAEs. The resulting models produce high–fidelity autoencoders that are also adversarially robust. We confirm their capabilities on several different datasets and with current state-of-the-art VAE adversarial attacks, and also show that they increase the robustness of downstream tasks to attack.

While deep learning algorithms can excel at predicting outcomes, they often act as black-boxes rendering them uninterpretable for healthcare practitioners. Counterfactual explanations (CEs) are a practical tool for demonstrating why machine learning models make particular decisions. We introduce a novel algorithm that leverages uncertainty to generate trustworthy counterfactual explanations for white-box models. Our proposed method can generate more interpretable CEs than the current benchmark (Van Looveren and Klaise, 2019) for breast cancer diagnosis. Further, our approach provides confidence levels for both the diagnosis as well as the explanation.

Black-box adversarial attacks require a large number of attempts before finding successful adversarial examples that are visually indistinguishable from the original input. Current approaches relying on substitute model training, gradient estimation or genetic algorithms often require an excessive number of queries. Therefore, they are not suitable for real-world systems where the maximum query number is limited due to cost. We propose a query-efficient black-box attack which uses Bayesian optimisation in combination with Bayesian model selection to optimise over the adversarial perturbation and the optimal degree of search space dimension reduction. We demonstrate empirically that our method can achieve comparable success rates with 2-5 times fewer queries compared to previous state-of-the-art black-box attacks.

We prove, under two sufficient conditions, that idealised models can have no adversarial examples. We discuss which idealised models satisfy our conditions, and show that idealised Bayesian neural networks (BNNs) satisfy these. We continue by studying near-idealised BNNs using HMC inference, demonstrating the theoretical ideas in practice. We experiment with HMC on synthetic data derived from MNIST for which we know the ground-truth image density, showing that near-perfect epistemic uncertainty correlates to density under image manifold, and that adversarial images lie off the manifold in our setting. This suggests why MC dropout, which can be seen as performing approximate inference, has been observed to be an effective defence against adversarial examples in practice; We highlight failure-cases of non-idealised BNNs relying on dropout, suggesting a new attack for dropout models and a new defence as well. Lastly, we demonstrate the defence on a cats-vs-dogs image classification... [full abstract]

Measuring uncertainty is a promising technique for detecting adversarial examples, crafted inputs on which the model predicts an incorrect class with high confidence. But many measures of uncertainty exist, including predictive entropy and mutual information, each capturing different types of uncertainty. We study these measures, and shed light on why mutual information seems to be effective at the task of adversarial example detection. We highlight failure modes for MC dropout, a widely used approach for estimating uncertainty in deep models. This leads to an improved understanding of the drawbacks of current methods, and a proposal to improve the quality of uncertainty estimates using probabilistic model ensembles. We give illustrative experiments using MNIST to demonstrate the intuition underlying the different measures of uncertainty, as well as experiments on a real world Kaggle dogs vs cats classification dataset.