Linear Dynamics: Clustering without identification

Clustering time series is a delicate task; varying lengths and temporal offsets obscure direct comparisons. A natural strategy is to learn a parametric model foreach time series and to cluster the model parameters rather than the sequences themselves. Linear dynamical systems are a fundamental and powerful parametric model class. However, identifying the parameters of a linear dynamical systems is a venerable task, permitting provably efficient solutions only in special cases. In this work, we show that clustering the parameters of unknown linear dynamical systems is, in fact, easier than identifying them. We analyze a computationally efficient clustering algorithm that enjoys provable convergence guarantees under a natural separation assumption. Although easy to implement, our algorithm is general, handling multi-dimensional data with time offsets and partial sequences. Evaluating our algorithm on both synthetic data and real electrocardiogram (ECG) signals, we see significant improvements in clustering quality over existing baselines.

Explaining an increase in predicted risk for clinical alerts

Much work aims to explain a model's prediction on a static input. We consider explanations in a temporal setting where a stateful dynamical model produces a sequence of risk estimates given an input at each time step. When the estimated risk increases, the goal of the explanation is to attribute the increase to a few relevant inputs from the past. While our formal setup and techniques are general, we carry out an in-depth case study in a clinical setting. The goal here is to alert a clinician when a patient's risk of deterioration rises. The clinician then has to decide whether to intervene and adjust the treatment. Given a potentially long sequence of new events since she last saw the patient, a concise explanation helps her to quickly triage the alert. We develop methods to lift static attribution techniques to the dynamical setting, where we identify and address challenges specific to dynamics. We then experimentally assess the utility of different explanations of clinical alerts through expert evaluation.

Model Similarity Mitigates Test Set Overuse

Excessive reuse of test data has become commonplace in today's machine learning workflows. Popular benchmarks, competitions, industrial scale tuning, among other applications, all involve test data reuse beyond guidance by statistical confidence bounds. Nonetheless, recent replication studies give evidence that popular benchmarks continue to support progress despite years of extensive reuse. We proffer a new explanation for the apparent longevity of test data: Many proposed models are similar in their predictions and we prove that this similarity mitigates overfitting. Specifically, we show empirically that models proposed for the ImageNet ILSVRC benchmark agree in their predictions well beyond what we can conclude from their accuracy levels alone. Likewise, models created by large scale hyperparameter search enjoy high levels of similarity. Motivated by these empirical observations, we give a non-asymptotic generalization bound that takes similarity into account, leading to meaningful confidence bounds in practical settings.

The advantages of multiple classes for reducing overfitting from test set reuse

Excessive reuse of holdout data can lead to overfitting. However, there is little concrete evidence of significant overfitting due to holdout reuse in popular multiclass benchmarks today. Known results show that, in the worst-case, revealing the accuracy of $k$ adaptively chosen classifiers on a data set of size $n$ allows to create a classifier with bias of $\Theta(\sqrt{k/n})$ for any binary prediction problem. We show a new upper bound of $\tilde O(\max\{\sqrt{k\log(n)/(mn)},k/n\})$ on the worst-case bias that any attack can achieve in a prediction problem with $m$ classes. Moreover, we present an efficient attack that achieve a bias of $\Omega(\sqrt{k/(m^2 n)})$ and improves on previous work for the binary setting ($m=2$). We also present an inefficient attack that achieves a bias of $\tilde\Omega(k/n)$. Complementing our theoretical work, we give new practical attacks to stress-test multiclass benchmarks by aiming to create as large a bias as possible with a given number of queries. Our experiments show that the additional uncertainty of prediction with a large number of classes indeed mitigates the effect of our best attacks. Our work extends developments in understanding overfitting due to adaptive data analysis to multiclass prediction problems. It also bears out the surprising fact that multiclass prediction problems are significantly more robust to overfitting when reusing a test (or holdout) dataset. This offers an explanation as to why popular multiclass prediction benchmarks, such as ImageNet, may enjoy a longer lifespan than what intuition from literature on binary classification suggests.

Identity Crisis: Memorization and Generalization under Extreme Overparameterization

We study the interplay between memorization and generalization of overparametrized networks in the extreme case of a single training example. The learning task is to predict an output which is as similar as possible to the input. We examine both fully-connected and convolutional networks that are initialized randomly and then trained to minimize the reconstruction error. The trained networks take one of the two forms: the constant function ("memorization") and the identity function ("generalization"). We show that different architectures exhibit vastly different inductive bias towards memorization and generalization. An important consequence of our study is that even in extreme cases of overparameterization, deep learning can result in proper generalization.

Natural Analysts in Adaptive Data Analysis

Adaptive data analysis is frequently criticized for its pessimistic generalization guarantees. The source of these pessimistic bounds is a model that permits arbitrary, possibly adversarial analysts that optimally use information to bias results. While being a central issue in the field, still lacking are notions of natural analysts that allow for more optimistic bounds faithful to the reality that typical analysts aren't adversarial. In this work, we propose notions of natural analysts that smoothly interpolate between the optimal non-adaptive bounds and the best-known adaptive generalization bounds. To accomplish this, we model the analyst's knowledge as evolving according to the rules of an unknown dynamical system that takes in revealed information and outputs new statistical queries to the data. This allows us to restrict the analyst through different natural control-theoretic notions. One such notion corresponds to a recency bias, formalizing an inability to arbitrarily use distant information. Another complementary notion formalizes an anchoring bias, a tendency to weight initial information more strongly. Both notions come with quantitative parameters that smoothly interpolate between the non-adaptive case and the fully adaptive case, allowing for a rich spectrum of intermediate analysts that are neither non-adaptive nor adversarial. Natural not only from a cognitive perspective, we show that our notions also capture standard optimization methods, like gradient descent in various settings. This gives a new interpretation to the fact that gradient descent tends to overfit much less than its adaptive nature might suggest.

Sanity Checks for Saliency Maps

Saliency methods have emerged as a popular tool to highlight features in an input deemed relevant for the prediction of a learned model. Several saliency methods have been proposed, often guided by visual appeal on image data. In this work, we propose an actionable methodology to evaluate what kinds of explanations a given method can and cannot provide. We find that reliance, solely, on visual assessment can be misleading. Through extensive experiments we show that some existing saliency methods are independent both of the model and of the data generating process. Consequently, methods that fail the proposed tests are inadequate for tasks that are sensitive to either data or model, such as, finding outliers in the data, explaining the relationship between inputs and outputs that the model learned, and debugging the model. We interpret our findings through an analogy with edge detection in images, a technique that requires neither training data nor model. Theory in the case of a linear model and a single-layer convolutional neural network supports our experimental findings.

Massively Parallel Hyperparameter Tuning

Modern learning models are characterized by large hyperparameter spaces. In order to adequately explore these large spaces, we must evaluate a large number of configurations, typically orders of magnitude more configurations than available parallel workers. Given the growing costs of model training, we would ideally like to perform this search in roughly the same wall-clock time needed to train a single model. In this work, we tackle this challenge by introducing ASHA, a simple and robust hyperparameter tuning algorithm with solid theoretical underpinnings that exploits parallelism and aggressive early-stopping. Our extensive empirical results show that ASHA slightly outperforms Fabolas and Population Based Tuning, state-of-the hyperparameter tuning methods; scales linearly with the number of workers in distributed settings; converges to a high quality configuration in half the time taken by Vizier (Google's internal hyperparameter tuning service) in an experiment with 500 workers; and beats the published result for a near state-of-the-art LSTM architecture in under 2x the time to train a single model.

Group calibration is a byproduct of unconstrained learning

Much recent work on fairness in machine learning has focused on how well a score function is calibrated in different groups within a given population, where each group is defined by restricting one or more sensitive attributes. We investigate to which extent group calibration follows from unconstrained empirical risk minimization on its own, without the need for any explicit intervention. We show that under reasonable conditions, the deviation from satisfying group calibration is bounded by the excess loss of the empirical risk minimizer relative to the Bayes optimal score function. As a corollary, it follows that empirical risk minimization can simultaneously achieve calibration for many groups, a task that prior work deferred to highly complex algorithms. We complement our results with a lower bound, and a range of experimental findings. Our results challenge the view that group calibration necessitates an active intervention, suggesting that often we ought to think of it as a byproduct of unconstrained machine learning.