We present a simple yet highly generalizable method for explaining interacting parts within a neural network's reasoning process. In this work, we consider local, global, and higher-order statistical interactions. Generally speaking, local interactions occur between features within individual datapoints, while global interactions come in the form of universal features across the whole dataset. With deep learning, combined with some heuristics for tractability, we achieve state of the art measurement of global statistical interaction effects, including at higher orders (3-way interactions or more). We generalize this to the multidimensional setting to explain local interactions in multi-object detection and relational reasoning using the COCO annotated-image and Sort-Of-CLEVR toy datasets respectively. Here, we submit a new task for testing feature vector interactions, conduct a human study, propose a novel metric for relational reasoning, and use our interaction interpretations to innovate a more effective Relation Network. Finally, we apply these techniques on a real-world biomedical dataset to discover the higher-order interactions underlying Parkinson's disease clinical progression.

Learning from label proportions (LLP) is a weakly supervised setting for classification in which unlabeled training instances are grouped into bags, and each bag is annotated with the proportion of each class occurring in that bag. Prior work on LLP has yet to establish a consistent learning procedure, nor does there exist a theoretically justified, general purpose training criterion. In this work we address these two issues by posing LLP in terms of mutual contamination models (MCMs), which have recently been applied successfully to study various other weak supervision settings. In the process, we establish several novel technical results for MCMs, including unbiased losses and generalization error bounds under non-iid sampling plans. We also point out the limitations of a common experimental setting for LLP, and propose a new one based on our MCM framework.

Off-policy learning algorithms have been known to be sensitive to the choice of hyper-parameters. However, unlike near on-policy algorithms for which hyper-parameters could be optimized via e.g. meta-gradients, similar techniques could not be straightforwardly applied to off-policy learning. In this work, we propose a framework which entails the application of Evolutionary Strategies to online hyper-parameter tuning in off-policy learning. Our formulation draws close connections to meta-gradients and leverages the strengths of black-box optimization with relatively low-dimensional search spaces. We show that our method outperforms state-of-the-art off-policy learning baselines with static hyper-parameters and recent prior work over a wide range of continuous control benchmarks.

We propose a graphical model framework for goal-conditioned RL, with an EM algorithm that operates on the lower bound of the RL objective. The E-step provides a natural interpretation of how 'learning in hindsight' techniques, such as HER, to handle extremely sparse goal-conditioned rewards. The M-step reduces policy optimization to supervised learning updates, which greatly stabilizes end-to-end training on high-dimensional inputs such as images. We show that the combined algorithm, hEM significantly outperforms model-free baselines on a wide range of goal-conditioned benchmarks with sparse rewards.

Control variates are a well-established tool to reduce the variance of Monte Carlo estimators. However, for large-scale problems including high-dimensional and large-sample settings, their advantages can be outweighed by a substantial computational cost. This paper considers control variates based on Stein operators, presenting a framework that encompasses and generalizes existing approaches that use polynomials, kernels and neural networks. A learning strategy based on minimising a variational objective through stochastic optimization is proposed, leading to scalable and effective control variates. Our results are both empirical, based on a range of test functions and problems in Bayesian inference, and theoretical, based on an analysis of the variance reduction that can be achieved.

Recent research has established sufficient conditions for finite mixture models to be identifiable from grouped observations. These conditions allow the mixture components to be nonparametric and have substantial (or even total) overlap. This work proposes an algorithm that consistently estimates any identifiable mixture model from grouped observations. Our analysis leverages an oracle inequality for weighted kernel density estimators of the distribution on groups, together with a general result showing that consistent estimation of the distribution on groups implies consistent estimation of mixture components. A practical implementation is provided for paired observations, and the approach is shown to outperform existing methods, especially when mixture components overlap significantly.

Stochastic Gradient Langevin Dynamics (SGLD) ensures strong guarantees with regards to convergence in measure for sampling log-concave posterior distributions by adding noise to stochastic gradient iterates. Given the size of many practical problems, parallelizing across several asynchronously running processors is a popular strategy for reducing the end-to-end computation time of stochastic optimization algorithms. In this paper, we are the first to investigate the effect of asynchronous computation, in particular, the evaluation of stochastic Langevin gradients at delayed iterates, on the convergence in measure. For this, we exploit recent results modeling Langevin dynamics as solving a convex optimization problem on the space of measures. We show that the rate of convergence in measure is not significantly affected by the error caused by the delayed gradient information used for computation, suggesting significant potential for speedup in wall clock time. We confirm our theoretical results with numerical experiments on some practical problems.

We investigate gradient descent training of wide neural networks and the corresponding implicit bias in function space. Focusing on 1D regression, we show that the solution of training a width-$n$ shallow ReLU network is within $n^{- 1/2}$ of the function which fits the training data and whose difference from initialization has smallest 2-norm of the second derivative weighted by $1/\zeta$. The curvature penalty function $1/\zeta$ is expressed in terms of the probability distribution that is utilized to initialize the network parameters, and we compute it explicitly for various common initialization procedures. For instance, asymmetric initialization with a uniform distribution yields a constant curvature penalty, and thence the solution function is the natural cubic spline interpolation of the training data. The statement generalizes to the training trajectories, which in turn are captured by trajectories of spatially adaptive smoothing splines with decreasing regularization strength.

Targeted Learning is a subfield of statistics that unifies advances in causal inference, machine learning and statistical theory to help answer scientifically impactful questions with statistical confidence. Targeted Learning is driven by complex problems in data science and has been implemented in a diversity of real-world scenarios: observational studies with missing treatments and outcomes, personalized interventions, longitudinal settings with time-varying treatment regimes, survival analysis, adaptive randomized trials, mediation analysis, and networks of connected subjects. In contrast to the (mis)application of restrictive modeling strategies that dominate the current practice of statistics, Targeted Learning establishes a principled standard for statistical estimation and inference (i.e., confidence intervals and p-values). This multiply robust approach is accompanied by a guiding roadmap and a burgeoning software ecosystem, both of which provide guidance on the construction of estimators optimized to best answer the motivating question. The roadmap of Targeted Learning emphasizes tailoring statistical procedures so as to minimize their assumptions, carefully grounding them only in the scientific knowledge available. The end result is a framework that honestly reflects the uncertainty in both the background knowledge and the available data in order to draw reliable conclusions from statistical analyses -- ultimately enhancing the reproducibility and rigor of scientific findings.

As machine learning becomes more pervasive, the urgency of assuring its fairness increases. Consider training data that capture the behaviour of multiple subgroups of some underlying population over time. When the amounts of training data for the subgroups are not controlled carefully, under-representation bias may arise. We introduce two natural concepts of subgroup fairness and instantaneous fairness to address such under-representation bias in forecasting problems. In particular, we consider the learning of a linear dynamical system from multiple trajectories of varying lengths, and the associated forecasting problems. We provide globally convergent methods for the subgroup-fair and instant-fair estimation using hierarchies of convexifications of non-commutative polynomial optimisation problems. We demonstrate both the beneficial impact of fairness considerations on the statistical performance and the encouraging effects of exploiting sparsity on the estimators' run-time in our computational experiments.