Prediction models are used amongst others to inform medical decisions on interventions. Typically, individuals with high risks of adverse outcomes are advised to undergo an intervention while those at low risk are advised to refrain from it. Standard prediction models do not always provide risks that are relevant to inform such decisions: e.g., an individual may be estimated to be at low risk because similar individuals in the past received an intervention which lowered their risk. Therefore, prediction models supporting decisions should target risks belonging to defined intervention strategies. Previous works on prediction under interventions assumed that the prediction model was used only at one time point to make an intervention decision. In clinical practice, intervention decisions are rarely made only once: they might be repeated, deferred and re-evaluated. This requires estimated risks under interventions that can be reconsidered at several potential decision moments. In the current work, we highlight key considerations for formulating estimands in sequential prediction under interventions that can inform such intervention decisions. We illustrate these considerations by giving examples of estimands for a case study about choosing between vaginal delivery and cesarean section for women giving birth. Our formalization of prediction tasks in a sequential, causal, and estimand context provides guidance for future studies to ensure that the right question is answered and appropriate causal estimation approaches are chosen to develop sequential prediction models that can inform intervention decisions.
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We address modelling and computational issues for multiple treatment effect inference under many potential confounders. A primary issue relates to preventing harmful effects from omitting relevant covariates (under-selection), while not running into over-selection issues that introduce substantial variance and a bias related to the non-random over-inclusion of covariates. We propose a novel empirical Bayes framework for Bayesian model averaging that learns from data the extent to which the inclusion of key covariates should be encouraged, specifically those highly associated to the treatments. A key challenge is computational. We develop fast algorithms, including an Expectation-Propagation variational approximation and simple stochastic gradient optimization algorithms, to learn the hyper-parameters from data. Our framework uses widely-used ingredients and largely existing software, and it is implemented within the R package mombf featured on CRAN. This work is motivated by and is illustrated in two applications. The first is the association between salary variation and discriminatory factors. The second, that has been debated in previous works, is the association between abortion policies and crime. Our approach provides insights that differ from previous analyses especially in situations with weaker treatment effects.
Optimization under uncertainty is important in many applications, particularly to inform policy and decision making in areas such as public health. A key source of uncertainty arises from the incorporation of environmental variables as inputs into computational models or simulators. Such variables represent uncontrollable features of the optimization problem and reliable decision making must account for the uncertainty they propagate to the simulator outputs. Often, multiple, competing objectives are defined from these outputs such that the final optimal decision is a compromise between different goals. Here, we present emulation-based optimization methodology for such problems that extends expected quantile improvement (EQI) to address multi-objective optimization. Focusing on the practically important case of two objectives, we use a sequential design strategy to identify the Pareto front of optimal solutions. Uncertainty from the environmental variables is integrated out using Monte Carlo samples from the simulator. Interrogation of the expected output from the simulator is facilitated by use of (Gaussian process) emulators. The methodology is demonstrated on an optimization problem from public health involving the dispersion of anthrax spores across a spatial terrain. Environmental variables include meteorological features that impact the dispersion, and the methodology identifies the Pareto front even when there is considerable input uncertainty.
We establish finite-sample guarantees for efficient proper learning of bounded-degree polytrees, a rich class of high-dimensional probability distributions and a subclass of Bayesian networks, a widely-studied type of graphical model. Recently, Bhattacharyya et al. (2021) obtained finite-sample guarantees for recovering tree-structured Bayesian networks, i.e., 1-polytrees. We extend their results by providing an efficient algorithm which learns $d$-polytrees in polynomial time and sample complexity for any bounded $d$ when the underlying undirected graph (skeleton) is known. We complement our algorithm with an information-theoretic sample complexity lower bound, showing that the dependence on the dimension and target accuracy parameters are nearly tight.
We study propositional proof systems with inference rules that formalize restricted versions of the ability to make assumptions that hold without loss of generality, commonly used informally to shorten proofs. Each system we study is built on resolution. They are called BC${}^-$, RAT${}^-$, SBC${}^-$, and GER${}^-$, denoting respectively blocked clauses, resolution asymmetric tautologies, set-blocked clauses, and generalized extended resolution - all "without new variables." They may be viewed as weak versions of extended resolution (ER) since they are defined by first generalizing the extension rule and then taking away the ability to introduce new variables. Except for SBC${}^-$, they are known to be strictly between resolution and extended resolution. Several separations between these systems were proved earlier by exploiting the fact that they effectively simulate ER. We answer the questions left open: We prove exponential lower bounds for SBC${}^-$ proofs of a binary encoding of the pigeonhole principle, which separates ER from SBC${}^-$. Using this new separation, we prove that both RAT${}^-$ and GER${}^-$ are exponentially separated from SBC${}^-$. This completes the picture of their relative strengths.
Among semiparametric regression models, partially linear additive models provide a useful tool to include additive nonparametric components as well as a parametric component, when explaining the relationship between the response and a set of explanatory variables. This paper concerns such models under sparsity assumptions for the covariates included in the linear component. Sparse covariates are frequent in regression problems where the task of variable selection is usually of interest. As in other settings, outliers either in the residuals or in the covariates involved in the linear component have a harmful effect. To simultaneously achieve model selection for the parametric component of the model and resistance to outliers, we combine preliminary robust estimators of the additive component, robust linear $MM-$regression estimators with a penalty such as SCAD on the coefficients in the parametric part. Under mild assumptions, consistency results and rates of convergence for the proposed estimators are derived. A Monte Carlo study is carried out to compare, under different models and contamination schemes, the performance of the robust proposal with its classical counterpart. The obtained results show the advantage of using the robust approach. Through the analysis of a real data set, we also illustrate the benefits of the proposed procedure.
Suitable discretizations through tensor product formulas of popular multidimensional operators (diffusion or diffusion--advection, for instance) lead to matrices with $d$-dimensional Kronecker sum structure. For evolutionary Partial Differential Equations containing such operators and integrated in time with exponential integrators, it is then of paramount importance to efficiently approximate the actions of $\varphi$-functions of the arising matrices. In this work, we show how to produce directional split approximations of third order with respect to the time step size. They conveniently employ tensor-matrix products (the so-called $\mu$-mode product and related Tucker operator, realized in practice with high performance level 3 BLAS), and allow for the effective usage of exponential Runge--Kutta integrators up to order three. The technique can also be efficiently implemented on modern computer hardware such as Graphic Processing Units. The approach has been successfully tested against state-of-the-art techniques on two well-known physical models that lead to Turing patterns, namely the 2D Schnakenberg and the 3D FitzHugh--Nagumo systems, on different architectures.
Dynamical systems across the sciences, from electrical circuits to ecological networks, undergo qualitative and often catastrophic changes in behavior, called bifurcations, when their underlying parameters cross a threshold. Existing methods predict oncoming catastrophes in individual systems but are primarily time-series-based and struggle both to categorize qualitative dynamical regimes across diverse systems and to generalize to real data. To address this challenge, we propose a data-driven, physically-informed deep-learning framework for classifying dynamical regimes and characterizing bifurcation boundaries based on the extraction of topologically invariant features. We focus on the paradigmatic case of the supercritical Hopf bifurcation, which is used to model periodic dynamics across a wide range of applications. Our convolutional attention method is trained with data augmentations that encourage the learning of topological invariants which can be used to detect bifurcation boundaries in unseen systems and to design models of biological systems like oscillatory gene regulatory networks. We further demonstrate our method's use in analyzing real data by recovering distinct proliferation and differentiation dynamics along pancreatic endocrinogenesis trajectory in gene expression space based on single-cell data. Our method provides valuable insights into the qualitative, long-term behavior of a wide range of dynamical systems, and can detect bifurcations or catastrophic transitions in large-scale physical and biological systems.
Power posteriors "robustify" standard Bayesian inference by raising the likelihood to a constant fractional power, effectively downweighting its influence in the calculation of the posterior. Power posteriors have been shown to be more robust to model misspecification than standard posteriors in many settings. Previous work has shown that power posteriors derived from low-dimensional, parametric locally asymptotically normal models are asymptotically normal (Bernstein-von Mises) even under model misspecification. We extend these results to show that the power posterior moments converge to those of the limiting normal distribution suggested by the Bernstein-von Mises theorem. We then use this result to show that the mean of the power posterior, a point estimator, is asymptotically equivalent to the maximum likelihood estimator.
Exponential families are statistical models which are the workhorses in statistics, information theory, and machine learning among others. An exponential family can either be normalized subtractively by its cumulant or free energy function or equivalently normalized divisively by its partition function. Both subtractive and divisive normalizers are strictly convex and smooth functions inducing pairs of Bregman and Jensen divergences. It is well-known that skewed Bhattacharryya distances between probability densities of an exponential family amounts to skewed Jensen divergences induced by the cumulant function between their corresponding natural parameters, and in limit cases that the sided Kullback-Leibler divergences amount to reverse-sided Bregman divergences. In this paper, we first show that the $\alpha$-divergences between unnormalized densities of an exponential family amounts to scaled $\alpha$-skewed Jensen divergences induced by the partition function. We then show how comparative convexity with respect to a pair of quasi-arithmetic means allows to deform both convex functions and their arguments, and thereby define dually flat spaces with corresponding divergences when ordinary convexity is preserved.
Artificial neural networks thrive in solving the classification problem for a particular rigid task, acquiring knowledge through generalized learning behaviour from a distinct training phase. The resulting network resembles a static entity of knowledge, with endeavours to extend this knowledge without targeting the original task resulting in a catastrophic forgetting. Continual learning shifts this paradigm towards networks that can continually accumulate knowledge over different tasks without the need to retrain from scratch. We focus on task incremental classification, where tasks arrive sequentially and are delineated by clear boundaries. Our main contributions concern 1) a taxonomy and extensive overview of the state-of-the-art, 2) a novel framework to continually determine the stability-plasticity trade-off of the continual learner, 3) a comprehensive experimental comparison of 11 state-of-the-art continual learning methods and 4 baselines. We empirically scrutinize method strengths and weaknesses on three benchmarks, considering Tiny Imagenet and large-scale unbalanced iNaturalist and a sequence of recognition datasets. We study the influence of model capacity, weight decay and dropout regularization, and the order in which the tasks are presented, and qualitatively compare methods in terms of required memory, computation time, and storage.
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