In singular models, the optimal set of parameters forms an analytic set with singularities and classical statistical inference cannot be applied to such models. This is significant for deep learning as neural networks are singular and thus "dividing" by the determinant of the Hessian or employing the Laplace approximation are not appropriate. Despite its potential for addressing fundamental issues in deep learning, singular learning theory appears to have made little inroads into the developing canon of deep learning theory. Via a mix of theory and experiment, we present an invitation to singular learning theory as a vehicle for understanding deep learning and suggest important future work to make singular learning theory directly applicable to how deep learning is performed in practice.

One of the principal scientific challenges in deep learning is explaining generalization, i.e., why the particular way the community now trains networks to achieve small training error also leads to small error on held-out data from the same population. It is widely appreciated that some worst-case theories -- such as those based on the VC dimension of the class of predictors induced by modern neural network architectures -- are unable to explain empirical performance. A large volume of work aims to close this gap, primarily by developing bounds on generalization error, optimization error, and excess risk. When evaluated empirically, however, most of these bounds are numerically vacuous. Focusing on generalization bounds, this work addresses the question of how to evaluate such bounds empirically. Jiang et al. (2020) recently described a large-scale empirical study aimed at uncovering potential causal relationships between bounds/measures and generalization. Building on their study, we highlight where their proposed methods can obscure failures and successes of generalization measures in explaining generalization. We argue that generalization measures should instead be evaluated within the framework of distributional robustness.

Partial label learning (PLL) is a class of weakly supervised learning where each training instance consists of a data and a set of candidate labels containing a unique ground truth label. To tackle this problem, a majority of current state-of-the-art methods employs either label disambiguation or averaging strategies. So far, PLL methods without such techniques have been considered impractical. In this paper, we challenge this view by revealing the hidden power of the oldest and naivest PLL method when it is instantiated with deep neural networks. Specifically, we show that, with deep neural networks, the naive model can achieve competitive performances against the other state-of-the-art methods, suggesting it as a strong baseline for PLL. We also address the question of how and why such a naive model works well with deep neural networks. Our empirical results indicate that deep neural networks trained on partially labeled examples generalize very well even in the over-parametrized regime and without label disambiguations or regularizations. We point out that existing learning theories on PLL are vacuous in the over-parametrized regime. Hence they cannot explain why the deep naive method works. We propose an alternative theory on how deep learning generalize in PLL problems.

The classical approach to measure the expressive power of deep neural networks with piecewise linear activations is based on counting their maximum number of linear regions. However, when considering the two different models which are the fully connected and the permutation invariant ones, this measure is unable to distinguish them clearly in term of expressivity. To tackle this, we propose a refined definition of deep neural networks complexity. Instead of counting the number of linear regions directly, we first introduce an equivalence relation between the linear functions composing a DNN and then count those functions relatively to that equivalence relation. We continue with a study of our new complexity measure and verify that it has the good expected properties. It is able to distinguish clearly between the two models mentioned above, it is consistent with the classical measure, and it increases exponentially with depth. That last point confirms the high expressive power of deep networks.

Several recent results provide theoretical insights into the phenomena of adversarial examples. Existing results, however, are often limited due to a gap between the simplicity of the models studied and the complexity of those deployed in practice. In this work, we strike a better balance by considering a model that involves learning a representation while at the same time giving a precise generalization bound and a robustness certificate. We focus on the hypothesis class obtained by combining a sparsity-promoting encoder coupled with a linear classifier, and show an interesting interplay between the expressivity and stability of the (supervised) representation map and a notion of margin in the feature space. We bound the robust risk (to $\ell_2$-bounded perturbations) of hypotheses parameterized by dictionaries that achieve a mild encoder gap on training data. Furthermore, we provide a robustness certificate for end-to-end classification. We demonstrate the applicability of our analysis by computing certified accuracy on real data, and compare with other alternatives for certified robustness.

Randomized smoothing has been shown to provide good certified-robustness guarantees for high-dimensional classification problems. It uses the probabilities of predicting the top two most-likely classes around an input point under a smoothing distribution to generate a certified radius for a classifier's prediction. However, most smoothing methods do not give us any information about the confidence with which the underlying classifier (e.g., deep neural network) makes a prediction. In this work, we propose a method to generate certified radii for the prediction confidence of the smoothed classifier. We consider two notions for quantifying confidence: average prediction score of a class and the margin by which the average prediction score of one class exceeds that of another. We modify the Neyman-Pearson lemma (a key theorem in randomized smoothing) to design a procedure for computing the certified radius where the confidence is guaranteed to stay above a certain threshold. Our experimental results on CIFAR-10 and ImageNet datasets show that using information about the distribution of the confidence scores allows us to achieve a significantly better certified radius than ignoring it. Thus, we demonstrate that extra information about the base classifier at the input point can help improve certified guarantees for the smoothed classifier.

A central problem in learning from sequential data is representing cumulative history in an incremental fashion as more data is processed. We introduce a general framework (HiPPO) for the online compression of continuous signals and discrete time series by projection onto polynomial bases. Given a measure that specifies the importance of each time step in the past, HiPPO produces an optimal solution to a natural online function approximation problem. As special cases, our framework yields a short derivation of the recent Legendre Memory Unit (LMU) from first principles, and generalizes the ubiquitous gating mechanism of recurrent neural networks such as GRUs. This formal framework yields a new memory update mechanism (HiPPO-LegS) that scales through time to remember all history, avoiding priors on the timescale. HiPPO-LegS enjoys the theoretical benefits of timescale robustness, fast updates, and bounded gradients. By incorporating the memory dynamics into recurrent neural networks, HiPPO RNNs can empirically capture complex temporal dependencies. On the benchmark permuted MNIST dataset, HiPPO-LegS sets a new state-of-the-art accuracy of 98.3%. Finally, on a novel trajectory classification task testing robustness to out-of-distribution timescales and missing data, HiPPO-LegS outperforms RNN and neural ODE baselines by 25-40% accuracy.

Deep learning classifiers are susceptible to well-crafted, imperceptible variations of their inputs, known as adversarial attacks. In this regard, the study of powerful attack models sheds light on the sources of vulnerability in these classifiers, hopefully leading to more robust ones. In this paper, we introduce AdvFlow: a novel black-box adversarial attack method on image classifiers that exploits the power of normalizing flows to model the density of adversarial examples around a given target image. We see that the proposed method generates adversaries that closely follow the clean data distribution, a property which makes their detection less likely. Also, our experimental results show competitive performance of the proposed approach with some of the existing attack methods on defended classifiers. The code is available at https://github.com/hmdolatabadi/AdvFlow.

Recent approaches for modelling dynamics of physical systems with neural networks enforce Lagrangian or Hamiltonian structure to improve prediction and generalization. However, when coordinates are embedded in high-dimensional data such as images, these approaches either lose interpretability or can only be applied to one particular example. We introduce a new unsupervised neural network model that learns Lagrangian dynamics from images, with interpretability that benefits prediction and control. The model infers Lagrangian dynamics on generalized coordinates that are simultaneously learned with a coordinate-aware variational autoencoder (VAE). The VAE is designed to account for the geometry of physical systems composed of multiple rigid bodies in the plane. By inferring interpretable Lagrangian dynamics, the model learns physical system properties, such as kinetic and potential energy, which enables long-term prediction of dynamics in the image space and synthesis of energy-based controllers.

Recommending the best course of action for an individual is a major application of individual-level causal effect estimation. This application is often needed in safety-critical domains such as healthcare, where estimating and communicating uncertainty to decision-makers is crucial. We introduce a practical approach for integrating uncertainty estimation into a class of state-of-the-art neural network methods used for individual-level causal estimates. We show that our methods enable us to deal gracefully with situations of "no-overlap", common in high-dimensional data, where standard applications of causal effect approaches fail. Further, our methods allow us to handle covariate shift, where test distribution differs to train distribution, common when systems are deployed in practice. We show that when such a covariate shift occurs, correctly modeling uncertainty can keep us from giving overconfident and potentially harmful recommendations. We demonstrate our methodology with a range of state-of-the-art models. Under both covariate shift and lack of overlap, our uncertainty-equipped methods can alert decisions makers when predictions are not to be trusted while outperforming their uncertainty-oblivious counterparts.