Large-scale administrative or observational datasets are increasingly used to inform decision making. While this effort aims to ground policy in real-world evidence, challenges have arise as that selection bias and other forms of distribution shift often plague observational data. Previous attempts to provide robust inferences have given guarantees depending on a user-specified amount of possible distribution shift (e.g., the maximum KL divergence between the observed and target distributions). However, decision makers will often have additional knowledge about the target distribution which constrains the kind of shifts which are possible. To leverage such information, we proposed a framework that enables statistical inference in the presence of distribution shifts which obey user-specified constraints in the form of functions whose expectation is known under the target distribution. The output is high-probability bounds on the value an estimand takes on the target distribution. Hence, our method leverages domain knowledge in order to partially identify a wide class of estimands. We analyze the computational and statistical properties of methods to estimate these bounds, and show that our method can produce informative bounds on a variety of simulated and semisynthetic tasks.
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Recently developed reduced-order modeling techniques aim to approximate nonlinear dynamical systems on low-dimensional manifolds learned from data. This is an effective approach for modeling dynamics in a post-transient regime where the effects of initial conditions and other disturbances have decayed. However, modeling transient dynamics near an underlying manifold, as needed for real-time control and forecasting applications, is complicated by the effects of fast dynamics and nonnormal sensitivity mechanisms. To begin to address these issues, we introduce a parametric class of nonlinear projections described by constrained autoencoder neural networks in which both the manifold and the projection fibers are learned from data. Our architecture uses invertible activation functions and biorthogonal weight matrices to ensure that the encoder is a left inverse of the decoder. We also introduce new dynamics-aware cost functions that promote learning of oblique projection fibers that account for fast dynamics and nonnormality. To demonstrate these methods and the specific challenges they address, we provide a detailed case study of a three-state model of vortex shedding in the wake of a bluff body immersed in a fluid, which has a two-dimensional slow manifold that can be computed analytically. In anticipation of future applications to high-dimensional systems, we also propose several techniques for constructing computationally efficient reduced-order models using our proposed nonlinear projection framework. This includes a novel sparsity-promoting penalty for the encoder that avoids detrimental weight matrix shrinkage via computation on the Grassmann manifold.
This paper investigates the problem of efficient constrained global optimization of hybrid models that are a composition of a known white-box function and an expensive multi-output black-box function subject to noisy observations, which often arises in real-world science and engineering applications. We propose a novel method, Constrained Upper Quantile Bound (CUQB), to solve such problems that directly exploits the composite structure of the objective and constraint functions that we show leads substantially improved sampling efficiency. CUQB is a conceptually simple, deterministic approach that avoid constraint approximations used by previous methods. Although the CUQB acquisition function is not available in closed form, we propose a novel differentiable sample average approximation that enables it to be efficiently maximized. We further derive bounds on the cumulative regret and constraint violation under a non-parametric Bayesian representation of the black-box function. Since these bounds depend sublinearly on the number of iterations under some regularity assumptions, we establis bounds on the convergence rate to the optimal solution of the original constrained problem. In contrast to most existing methods, CUQB further incorporates a simple infeasibility detection scheme, which we prove triggers in a finite number of iterations when the original problem is infeasible (with high probability given the Bayesian model). Numerical experiments on several test problems, including environmental model calibration and real-time optimization of a reactor system, show that CUQB significantly outperforms traditional Bayesian optimization in both constrained and unconstrained cases. Furthermore, compared to other state-of-the-art methods that exploit composite structure, CUQB achieves competitive empirical performance while also providing substantially improved theoretical guarantees.
Confounding is a significant obstacle to unbiased estimation of causal effects from observational data. For settings with high-dimensional covariates -- such as text data, genomics, or the behavioral social sciences -- researchers have proposed methods to adjust for confounding by adapting machine learning methods to the goal of causal estimation. However, empirical evaluation of these adjustment methods has been challenging and limited. In this work, we build on a promising empirical evaluation strategy that simplifies evaluation design and uses real data: subsampling randomized controlled trials (RCTs) to create confounded observational datasets while using the average causal effects from the RCTs as ground-truth. We contribute a new sampling algorithm, which we call RCT rejection sampling, and provide theoretical guarantees that causal identification holds in the observational data to allow for valid comparisons to the ground-truth RCT. Using synthetic data, we show our algorithm indeed results in low bias when oracle estimators are evaluated on the confounded samples, which is not always the case for a previously proposed algorithm. In addition to this identification result, we highlight several finite data considerations for evaluation designers who plan to use RCT rejection sampling on their own datasets. As a proof of concept, we implement an example evaluation pipeline and walk through these finite data considerations with a novel, real-world RCT -- which we release publicly -- consisting of approximately 70k observations and text data as high-dimensional covariates. Together, these contributions build towards a broader agenda of improved empirical evaluation for causal estimation.
The CONGEST and CONGEST-CLIQUE models have been carefully studied to represent situations where the communication bandwidth between processors in a network is severely limited. Messages of only $O(log(n))$ bits of information each may be sent between processors in each round. The quantum versions of these models allow the processors instead to communicate and compute with quantum bits under the same bandwidth limitations. This leads to the following natural research question: What problems can be solved more efficiently in these quantum models than in the classical ones? Building on existing work, we contribute to this question in two ways. Firstly, we present two algorithms in the Quantum CONGEST-CLIQUE model of distributed computation that succeed with high probability; one for producing an approximately optimal Steiner Tree, and one for producing an exact directed minimum spanning tree, each of which uses $\tilde{O}(n^{1/4})$ rounds of communication and $\tilde{O}(n^{9/4})$ messages, where $n$ is the number of nodes in the network. The algorithms thus achieve a lower asymptotic round and message complexity than any known algorithms in the classical CONGEST-CLIQUE model. At a high level, we achieve these results by combining classical algorithmic frameworks with quantum subroutines. An existing framework for using distributed version of Grover's search algorithm to accelerate triangle finding lies at the core of the asymptotic speedup. Secondly, we carefully characterize the constants and logarithmic factors involved in our algorithms as well as related algorithms, otherwise commonly obscured by $\tilde{O}$ notation. The analysis shows that some improvements are needed to render both our and existing related quantum and classical algorithms practical, as their asymptotic speedups only help for very large values of $n$.
Quantile regression is increasingly encountered in modern big data applications due to its robustness and flexibility. We consider the scenario of learning the conditional quantiles of a specific target population when the available data may go beyond the target and be supplemented from other sources that possibly share similarities with the target. A crucial question is how to properly distinguish and utilize useful information from other sources to improve the quantile estimation and inference at the target. We develop transfer learning methods for high-dimensional quantile regression by detecting informative sources whose models are similar to the target and utilizing them to improve the target model. We show that under reasonable conditions, the detection of the informative sources based on sample splitting is consistent. Compared to the naive estimator with only the target data, the transfer learning estimator achieves a much lower error rate as a function of the sample sizes, the signal-to-noise ratios, and the similarity measures among the target and the source models. Extensive simulation studies demonstrate the superiority of our proposed approach. We apply our methods to tackle the problem of detecting hard-landing risk for flight safety and show the benefits and insights gained from transfer learning of three different types of airplanes: Boeing 737, Airbus A320, and Airbus A380.
Empirical Bayes shrinkage methods usually maintain a prior independence assumption: The unknown parameters of interest are independent from the known precision of the estimates. This assumption is theoretically questionable and empirically rejected, and imposing it inappropriately may harm the performance of empirical Bayes methods. We instead model the conditional distribution of the parameter given the standard errors as a location-scale family, leading to a family of methods that we call CLOSE. We establish that (i) CLOSE is rate-optimal for squared error Bayes regret, (ii) squared error regret control is sufficient for an important class of economic decision problems, and (iii) CLOSE is worst-case robust. We use our method to select high-mobility Census tracts targeting a variety of economic mobility measures in the Opportunity Atlas (Chetty et al., 2020; Bergman et al., 2023). Census tracts selected by close are more mobile on average than those selected by the standard shrinkage method. For 6 out of 15 mobility measures considered, the gain of close over the standard shrinkage method is larger than the gain of the standard method over selecting Census tracts uniformly at random.
Out-of-distribution (OOD) generalization is a challenging machine learning problem yet highly desirable in many high-stake applications. Existing methods suffer from overly pessimistic modeling with low generalization confidence. As generalizing to arbitrary test distributions is impossible, we hypothesize that further structure on the topology of distributions is crucial in developing strong OOD resilience. To this end, we propose topology-aware robust optimization (TRO) that seamlessly integrates distributional topology in a principled optimization framework. More specifically, TRO solves two optimization objectives: (1) Topology Learning which explores data manifold to uncover the distributional topology; (2) Learning on Topology which exploits the topology to constrain robust optimization for tightly-bounded generalization risks. We theoretically demonstrate the effectiveness of our approach and empirically show that it significantly outperforms the state of the arts in a wide range of tasks including classification, regression, and semantic segmentation. Moreover, we empirically find the data-driven distributional topology is consistent with domain knowledge, enhancing the explainability of our approach.
We present prompt distribution learning for effectively adapting a pre-trained vision-language model to address downstream recognition tasks. Our method not only learns low-bias prompts from a few samples but also captures the distribution of diverse prompts to handle the varying visual representations. In this way, we provide high-quality task-related content for facilitating recognition. This prompt distribution learning is realized by an efficient approach that learns the output embeddings of prompts instead of the input embeddings. Thus, we can employ a Gaussian distribution to model them effectively and derive a surrogate loss for efficient training. Extensive experiments on 12 datasets demonstrate that our method consistently and significantly outperforms existing methods. For example, with 1 sample per category, it relatively improves the average result by 9.1% compared to human-crafted prompts.
Out-of-distribution (OOD) detection is critical to ensuring the reliability and safety of machine learning systems. For instance, in autonomous driving, we would like the driving system to issue an alert and hand over the control to humans when it detects unusual scenes or objects that it has never seen before and cannot make a safe decision. This problem first emerged in 2017 and since then has received increasing attention from the research community, leading to a plethora of methods developed, ranging from classification-based to density-based to distance-based ones. Meanwhile, several other problems are closely related to OOD detection in terms of motivation and methodology. These include anomaly detection (AD), novelty detection (ND), open set recognition (OSR), and outlier detection (OD). Despite having different definitions and problem settings, these problems often confuse readers and practitioners, and as a result, some existing studies misuse terms. In this survey, we first present a generic framework called generalized OOD detection, which encompasses the five aforementioned problems, i.e., AD, ND, OSR, OOD detection, and OD. Under our framework, these five problems can be seen as special cases or sub-tasks, and are easier to distinguish. Then, we conduct a thorough review of each of the five areas by summarizing their recent technical developments. We conclude this survey with open challenges and potential research directions.
The dominating NLP paradigm of training a strong neural predictor to perform one task on a specific dataset has led to state-of-the-art performance in a variety of applications (eg. sentiment classification, span-prediction based question answering or machine translation). However, it builds upon the assumption that the data distribution is stationary, ie. that the data is sampled from a fixed distribution both at training and test time. This way of training is inconsistent with how we as humans are able to learn from and operate within a constantly changing stream of information. Moreover, it is ill-adapted to real-world use cases where the data distribution is expected to shift over the course of a model's lifetime. The first goal of this thesis is to characterize the different forms this shift can take in the context of natural language processing, and propose benchmarks and evaluation metrics to measure its effect on current deep learning architectures. We then proceed to take steps to mitigate the effect of distributional shift on NLP models. To this end, we develop methods based on parametric reformulations of the distributionally robust optimization framework. Empirically, we demonstrate that these approaches yield more robust models as demonstrated on a selection of realistic problems. In the third and final part of this thesis, we explore ways of efficiently adapting existing models to new domains or tasks. Our contribution to this topic takes inspiration from information geometry to derive a new gradient update rule which alleviate catastrophic forgetting issues during adaptation.
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