Many modern applications seek to understand the relationship between an outcome variable $Y$ and a covariate $X$ in the presence of a (possibly high-dimensional) confounding variable $Z$. Although much attention has been paid to testing whether $Y$ depends on $X$ given $Z$, in this paper we seek to go beyond testing by inferring the strength of that dependence. We first define our estimand, the minimum mean squared error (mMSE) gap, which quantifies the conditional relationship between $Y$ and $X$ in a way that is deterministic, model-free, interpretable, and sensitive to nonlinearities and interactions. We then propose a new inferential approach called floodgate that can leverage any working regression function chosen by the user (allowing, e.g., it to be fitted by a state-of-the-art machine learning algorithm or be derived from qualitative domain knowledge) to construct asymptotic confidence bounds, and we apply it to the mMSE gap. In addition to proving floodgate's asymptotic validity, we rigorously quantify its accuracy (distance from confidence bound to estimand) and robustness. We then show we can apply the same floodgate principle to a different measure of variable importance when $Y$ is binary. Finally, we demonstrate floodgate's performance in a series of simulations and apply it to data from the UK Biobank to infer the strengths of dependence of platelet count on various groups of genetic mutations.
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Making statements about the performance of trained models on tasks involving new data is one of the primary goals of machine learning, i.e., to understand the generalization power of a model. Various capacity measures try to capture this ability, but usually fall short in explaining important characteristics of models that we observe in practice. In this study, we propose the local effective dimension as a capacity measure which seems to correlate well with generalization error on standard data sets. Importantly, we prove that the local effective dimension bounds the generalization error and discuss the aptness of this capacity measure for machine learning models.
Unlike univariate extreme value theory, multivariate extreme value distributions cannot be specified through a finite-dimensional parameter family of distributions. Instead, the many facets of multivariate extremes are mirrored in the inherent dependence structure of component-wise maxima which must be dissociated from the limiting extreme behaviour of its marginal distribution functions before a probabilistic characterisation of an extreme value quality can be determined. Mechanisms applied to elicit extremal dependence typically rely on standardisation of the unknown marginal distribution functions from which pseudo-observations for either Pareto or Fr\'echet marginals result. The relative merits of both of these choices for transformation of marginals have been discussed in the literature, particularly in the context of domains of attraction of an extreme value distribution. This paper is set within this context of modelling penultimate dependence as it proposes a unifying class of estimators for the residual dependence index that eschews consideration of choice of marginals. In addition, a reduced bias variant of the new class of estimators is introduced and their asymptotic properties are developed. The pivotal role of the unifying marginal transform in effectively removing bias is borne by a comprehensive simulation study. The leading application in this paper comprises an analysis of asymptotic independence between rainfall occurrences originating from monsoon-related events at several locations in Ghana.
Recent interest in dataset shift has produced many methods for finding invariant distributions for prediction in new, unseen environments. However, these methods consider different types of shifts and have been developed under disparate frameworks, making it difficult to theoretically analyze how solutions differ with respect to stability and accuracy. Taking a causal graphical view, we use a flexible graphical representation to express various types of dataset shifts. We show that all invariant distributions correspond to a causal hierarchy of graphical operators which disable the edges in the graph that are responsible for the shifts. The hierarchy provides a common theoretical underpinning for understanding when and how stability to shifts can be achieved, and in what ways stable distributions can differ. We use it to establish conditions for minimax optimal performance across environments, and derive new algorithms that find optimal stable distributions. Using this new perspective, we empirically demonstrate that that there is a tradeoff between minimax and average performance.
Dynamic treatment regimes (DTRs) consist of a sequence of decision rules, one per stage of intervention, that finds effective treatments for individual patients according to patient information history. DTRs can be estimated from models which include the interaction between treatment and a small number of covariates which are often chosen a priori. However, with increasingly large and complex data being collected, it is difficult to know which prognostic factors might be relevant in the treatment rule. Therefore, a more data-driven approach of selecting these covariates might improve the estimated decision rules and simplify models to make them easier to interpret. We propose a variable selection method for DTR estimation using penalized dynamic weighted least squares. Our method has the strong heredity property, that is, an interaction term can be included in the model only if the corresponding main terms have also been selected. Through simulations, we show our method has both the double robustness property and the oracle property, and the newly proposed methods compare favorably with other variable selection approaches.
Modern neural network architectures can leverage large amounts of data to generalize well within the training distribution. However, they are less capable of systematic generalization to data drawn from unseen but related distributions, a feat that is hypothesized to require compositional reasoning and reuse of knowledge. In this work, we present Neural Interpreters, an architecture that factorizes inference in a self-attention network as a system of modules, which we call \emph{functions}. Inputs to the model are routed through a sequence of functions in a way that is end-to-end learned. The proposed architecture can flexibly compose computation along width and depth, and lends itself well to capacity extension after training. To demonstrate the versatility of Neural Interpreters, we evaluate it in two distinct settings: image classification and visual abstract reasoning on Raven Progressive Matrices. In the former, we show that Neural Interpreters perform on par with the vision transformer using fewer parameters, while being transferrable to a new task in a sample efficient manner. In the latter, we find that Neural Interpreters are competitive with respect to the state-of-the-art in terms of systematic generalization
Influence maximization is the task of selecting a small number of seed nodes in a social network to maximize the spread of the influence from these seeds, and it has been widely investigated in the past two decades. In the canonical setting, the whole social network as well as its diffusion parameters is given as input. In this paper, we consider the more realistic sampling setting where the network is unknown and we only have a set of passively observed cascades that record the set of activated nodes at each diffusion step. We study the task of influence maximization from these cascade samples (IMS), and present constant approximation algorithms for this task under mild conditions on the seed set distribution. To achieve the optimization goal, we also provide a novel solution to the network inference problem, that is, learning diffusion parameters and the network structure from the cascade data. Comparing with prior solutions, our network inference algorithm requires weaker assumptions and does not rely on maximum-likelihood estimation and convex programming. Our IMS algorithms enhance the learning-and-then-optimization approach by allowing a constant approximation ratio even when the diffusion parameters are hard to learn, and we do not need any assumption related to the network structure or diffusion parameters.
We propose two generic methods for improving semi-supervised learning (SSL). The first integrates weight perturbation (WP) into existing "consistency regularization" (CR) based methods. We implement WP by leveraging variational Bayesian inference (VBI). The second method proposes a novel consistency loss called "maximum uncertainty regularization" (MUR). While most consistency losses act on perturbations in the vicinity of each data point, MUR actively searches for "virtual" points situated beyond this region that cause the most uncertain class predictions. This allows MUR to impose smoothness on a wider area in the input-output manifold. Our experiments show clear improvements in classification errors of various CR based methods when they are combined with VBI or MUR or both.
Efficient exploration remains a major challenge for reinforcement learning. One reason is that the variability of the returns often depends on the current state and action, and is therefore heteroscedastic. Classical exploration strategies such as upper confidence bound algorithms and Thompson sampling fail to appropriately account for heteroscedasticity, even in the bandit setting. Motivated by recent findings that address this issue in bandits, we propose to use Information-Directed Sampling (IDS) for exploration in reinforcement learning. As our main contribution, we build on recent advances in distributional reinforcement learning and propose a novel, tractable approximation of IDS for deep Q-learning. The resulting exploration strategy explicitly accounts for both parametric uncertainty and heteroscedastic observation noise. We evaluate our method on Atari games and demonstrate a significant improvement over alternative approaches.
Dynamic programming (DP) solves a variety of structured combinatorial problems by iteratively breaking them down into smaller subproblems. In spite of their versatility, DP algorithms are usually non-differentiable, which hampers their use as a layer in neural networks trained by backpropagation. To address this issue, we propose to smooth the max operator in the dynamic programming recursion, using a strongly convex regularizer. This allows to relax both the optimal value and solution of the original combinatorial problem, and turns a broad class of DP algorithms into differentiable operators. Theoretically, we provide a new probabilistic perspective on backpropagating through these DP operators, and relate them to inference in graphical models. We derive two particular instantiations of our framework, a smoothed Viterbi algorithm for sequence prediction and a smoothed DTW algorithm for time-series alignment. We showcase these instantiations on two structured prediction tasks and on structured and sparse attention for neural machine translation.
This paper presents a safety-aware learning framework that employs an adaptive model learning method together with barrier certificates for systems with possibly nonstationary agent dynamics. To extract the dynamic structure of the model, we use a sparse optimization technique, and the resulting model will be used in combination with control barrier certificates which constrain feedback controllers only when safety is about to be violated. Under some mild assumptions, solutions to the constrained feedback-controller optimization are guaranteed to be globally optimal, and the monotonic improvement of a feedback controller is thus ensured. In addition, we reformulate the (action-)value function approximation to make any kernel-based nonlinear function estimation method applicable. We then employ a state-of-the-art kernel adaptive filtering technique for the (action-)value function approximation. The resulting framework is verified experimentally on a brushbot, whose dynamics is unknown and highly complex.
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