arXiv subjects

Tamara Broderick

Publications and source records attributed to Tamara Broderick.

At least 37 records · Page 2Linked to original sources

arXiv2024

Sensitivity of MCMC-based analyses to small-data removal

If the conclusion of a data analysis is sensitive to dropping very few data points, that conclusion might hinge on the particular data at hand rather than representing a more broadly applicable truth. How could we check whether this sensitivity holds? One idea is to consider every small subset of data, drop it from the dataset, and re-run our analysis. But running MCMC to approximate a Bayesian posterior is already very expensive; running multiple times is prohibitive, and the number of re-runs needed here is combinatorially large. Recent work proposes a fast and accurate approximation to find the worst-case dropped data subset, but that work was developed for problems based on estimating equations -- and does not directly handle Bayesian posterior approximations using MCMC. We make two principal contributions in the present work. We adapt the existing data-dropping approximation to estimators computed via MCMC. Observing that Monte Carlo errors induce variability in the approximation, we use a variant of the bootstrap to quantify this uncertainty. We demonstrate how to use our approximation in practice to determine whether there is non-robustness in a problem. Empirically, our method is accurate in simple models, such as linear regression. In models with complicated structure, such as hierarchical models, the performance of our method is mixed.

stat.ME↗

arXiv2024

The Bayesian Infinitesimal Jackknife for Variance

The frequentist variability of Bayesian posterior expectations can provide meaningful measures of uncertainty even when models are misspecified. Classical methods to asymptotically approximate the frequentist covariance of Bayesian estimators such as the Laplace approximation and the nonparametric bootstrap can be practically inconvenient, since the Laplace approximation may require an intractable integral to compute the marginal log posterior, and the bootstrap requires computing the posterior for many different bootstrap datasets. We develop and explore the infinitesimal jackknife (IJ), an alternative method for computing asymptotic frequentist covariance of smooth functionals of exchangeable data, which is based on the "influence function" of robust statistics. We show that the influence function for posterior expectations has the form of a simple posterior covariance, and that the IJ covariance estimate is, in turn, easily computed from a single set of posterior samples. Under conditions similar to those required for a Bayesian central limit theorem to apply, we prove that the corresponding IJ covariance estimate is asymptotically equivalent to the Laplace approximation and the bootstrap. In the presence of nuisance parameters that may not obey a central limit theorem, we argue using a von Mises expansion that the IJ covariance is inconsistent, but can remain a good approximation to the limiting frequentist variance. We demonstrate the accuracy and computational benefits of the IJ covariance estimates with simulated and real-world experiments.

stat.ME↗

arXiv2024

Double trouble: Predicting new variant counts across two heterogeneous populations

Collecting genomics data across multiple heterogeneous populations (e.g., across different cancer types) has the potential to improve our understanding of disease. Despite sequencing advances, though, resources often remain a constraint when gathering data. So it would be useful for experimental design if experimenters with access to a pilot study could predict the number of new variants they might expect to find in a follow-up study: both the number of new variants shared between the populations and the total across the populations. While many authors have developed prediction methods for the single-population case, we show that these predictions can fare poorly across multiple populations that are heterogeneous. We prove that, surprisingly, a natural extension of a state-of-the-art single-population predictor to multiple populations fails for fundamental reasons. We provide the first predictor for the number of new shared variants and new total variants that can handle heterogeneity in multiple populations. We show that our proposed method works well empirically using real cancer and population genetics data.

stat.ME↗

arXiv2024

Are you using test log-likelihood correctly?

Test log-likelihood is commonly used to compare different models of the same data or different approximate inference algorithms for fitting the same probabilistic model. We present simple examples demonstrating how comparisons based on test log-likelihood can contradict comparisons according to other objectives. Specifically, our examples show that (i) approximate Bayesian inference algorithms that attain higher test log-likelihoods need not also yield more accurate posterior approximations and (ii) conclusions about forecast accuracy based on test log-likelihood comparisons may not agree with conclusions based on root mean squared error.

stat.ML↗

arXiv2024

Black Box Variational Inference with a Deterministic Objective: Faster, More Accurate, and Even More Black Box

Automatic differentiation variational inference (ADVI) offers fast and easy-to-use posterior approximation in multiple modern probabilistic programming languages. However, its stochastic optimizer lacks clear convergence criteria and requires tuning parameters. Moreover, ADVI inherits the poor posterior uncertainty estimates of mean-field variational Bayes (MFVB). We introduce "deterministic ADVI" (DADVI) to address these issues. DADVI replaces the intractable MFVB objective with a fixed Monte Carlo approximation, a technique known in the stochastic optimization literature as the "sample average approximation" (SAA). By optimizing an approximate but deterministic objective, DADVI can use off-the-shelf second-order optimization, and, unlike standard mean-field ADVI, is amenable to more accurate posterior covariances via linear response (LR). In contrast to existing worst-case theory, we show that, on certain classes of common statistical problems, DADVI and the SAA can perform well with relatively few samples even in very high dimensions, though we also show that such favorable results cannot extend to variational approximations that are too expressive relative to mean-field ADVI. We show on a variety of real-world problems that DADVI reliably finds good solutions with default settings (unlike ADVI) and, together with LR covariances, is typically faster and more accurate than standard ADVI.

cs.LG↗

arXiv2023

Could dropping a few cells change the takeaways from differential expression?

Differential expression (DE) plays a fundamental role toward illuminating the molecular mechanisms driving a difference between groups (e.g., due to treatment or disease). While any analysis is run on particular cells/samples, the intent is to generalize to future occurrences of the treatment or disease. Implicitly, this step is justified by assuming that present and future samples are independent and identically distributed from the same population. Though this assumption is always false, we hope that any deviation from the assumption is small enough that A) conclusions of the analysis still hold and B) standard tools like standard error, significance, and power still reflect generalizability. Conversely, we might worry about these deviations, and reliance on standard tools, if conclusions could be substantively changed by dropping a very small fraction of data. While checking every small fraction is computationally intractable, recent work develops an approximation to identify when such an influential subset exists. Building on this work, we develop a metric for dropping-data robustness of DE; namely, we cast the analysis in a form suitable to the approximation, extend the approximation to models with data-dependent hyperparameters, and extend the notion of a data point from a single cell to a pseudobulk observation. We then overcome the inherent non-differentiability of gene set enrichment analysis to develop an additional approximation for the robustness of top gene sets. We assess robustness of DE for published single-cell RNA-seq data and discover that 1000s of genes can have their results flipped by dropping <1% of the data, including 100s that are sensitive to dropping a single cell (0.07%). Surprisingly, this non-robustness extends to high-level takeaways; half of the top 10 gene sets can be changed by dropping 1-2% of cells, and 2/10 can be changed by dropping a single cell.

q-bio.QM↗

arXiv2023

Independent finite approximations for Bayesian nonparametric inference

Completely random measures (CRMs) and their normalizations (NCRMs) offer flexible models in Bayesian nonparametrics. But their infinite dimensionality presents challenges for inference. Two popular finite approximations are truncated finite approximations (TFAs) and independent finite approximations (IFAs). While the former have been well-studied, IFAs lack similarly general bounds on approximation error, and there has been no systematic comparison between the two options. In the present work, we propose a general recipe to construct practical finite-dimensional approximations for homogeneous CRMs and NCRMs, in the presence or absence of power laws. We call our construction the automated independent finite approximation (AIFA). Relative to TFAs, we show that AIFAs facilitate more straightforward derivations and use of parallel computing in approximate inference. We upper bound the approximation error of AIFAs for a wide class of common CRMs and NCRMs -- and thereby develop guidelines for choosing the approximation level. Our lower bounds in key cases suggest that our upper bounds are tight. We prove that, for worst-case choices of observation likelihoods, TFAs are more efficient than AIFAs. Conversely, we find that in real-data experiments with standard likelihoods, AIFAs and TFAs perform similarly. Moreover, we demonstrate that AIFAs can be used for hyperparameter estimation even when other potential IFA options struggle or do not apply.

stat.ME↗

arXiv2023

An Automatic Finite-Sample Robustness Metric: When Can Dropping a Little Data Make a Big Difference?

Study samples often differ from the target populations of inference and policy decisions in non-random ways. Researchers typically believe that such departures from random sampling -- due to changes in the population over time and space, or difficulties in sampling truly randomly -- are small, and their corresponding impact on the inference should be small as well. We might therefore be concerned if the conclusions of our studies are excessively sensitive to a very small proportion of our sample data. We propose a method to assess the sensitivity of applied econometric conclusions to the removal of a small fraction of the sample. Manually checking the influence of all possible small subsets is computationally infeasible, so we use an approximation to find the most influential subset. Our metric, the "Approximate Maximum Influence Perturbation," is based on the classical influence function, and is automatically computable for common methods including (but not limited to) OLS, IV, MLE, GMM, and variational Bayes. We provide finite-sample error bounds on approximation performance. At minimal extra cost, we provide an exact finite-sample lower bound on sensitivity. We find that sensitivity is driven by a signal-to-noise ratio in the inference problem, is not reflected in standard errors, does not disappear asymptotically, and is not due to misspecification. While some empirical applications are robust, results of several influential economics papers can be overturned by removing less than 1% of the sample.

stat.ME↗

arXiv2023

Gaussian processes at the Helm(holtz): A more fluid model for ocean currents

Given sparse observations of buoy velocities, oceanographers are interested in reconstructing ocean currents away from the buoys and identifying divergences in a current vector field. As a first and modular step, we focus on the time-stationary case - for instance, by restricting to short time periods. Since we expect current velocity to be a continuous but highly non-linear function of spatial location, Gaussian processes (GPs) offer an attractive model. But we show that applying a GP with a standard stationary kernel directly to buoy data can struggle at both current reconstruction and divergence identification, due to some physically unrealistic prior assumptions. To better reflect known physical properties of currents, we propose to instead put a standard stationary kernel on the divergence and curl-free components of a vector field obtained through a Helmholtz decomposition. We show that, because this decomposition relates to the original vector field just via mixed partial derivatives, we can still perform inference given the original data with only a small constant multiple of additional computational expense. We illustrate the benefits of our method with theory and experiments on synthetic and real ocean data.

stat.ME↗

arXiv2023

Diffusion probabilistic modeling of protein backbones in 3D for the motif-scaffolding problem

Construction of a scaffold structure that supports a desired motif, conferring protein function, shows promise for the design of vaccines and enzymes. But a general solution to this motif-scaffolding problem remains open. Current machine-learning techniques for scaffold design are either limited to unrealistically small scaffolds (up to length 20) or struggle to produce multiple diverse scaffolds. We propose to learn a distribution over diverse and longer protein backbone structures via an E(3)-equivariant graph neural network. We develop SMCDiff to efficiently sample scaffolds from this distribution conditioned on a given motif; our algorithm is the first to theoretically guarantee conditional samples from a diffusion model in the large-compute limit. We evaluate our designed backbones by how well they align with AlphaFold2-predicted structures. We show that our method can (1) sample scaffolds up to 80 residues and (2) achieve structurally diverse scaffolds for a fixed motif.

q-bio.BM↗

arXiv2023

Evaluating Sensitivity to the Stick-Breaking Prior in Bayesian Nonparametrics (Rejoinder)

One can typically form a local robustness metric for a particular problem quite directly, for Markov chain Monte Carlo applications as well as optimization problems such as variational Bayes. However, we argue that simply forming a local robustness metric is not enough: the hard work is showing that it is useful. Computability, interpretability, and the ability of a local robustness metric to extrapolate well, are more important -- and often more difficult to establish -- than mere computation of derivatives.

stat.ME↗

arXiv2022

Confidently Comparing Estimators with the c-value

Modern statistics provides an ever-expanding toolkit for estimating unknown parameters. Consequently, applied statisticians frequently face a difficult decision: retain a parameter estimate from a familiar method or replace it with an estimate from a newer or more complex one. While it is traditional to compare estimates using risk, such comparisons are rarely conclusive in realistic settings. In response, we propose the "c-value" as a measure of confidence that a new estimate achieves smaller loss than an old estimate on a given dataset. We show that it is unlikely that a large c-value coincides with a larger loss for the new estimate. Therefore, just as a small p-value supports rejecting a null hypothesis, a large c-value supports using a new estimate in place of the old. For a wide class of problems and estimates, we show how to compute a c-value by first constructing a data-dependent high-probability lower bound on the difference in loss. The c-value is frequentist in nature, but we show that it can provide validation of shrinkage estimates derived from Bayesian models in real data applications involving hierarchical models and Gaussian processes.

stat.ME↗

arXiv2022

The SKIM-FA Kernel: High-Dimensional Variable Selection and Nonlinear Interaction Discovery in Linear Time

Many scientific problems require identifying a small set of covariates that are associated with a target response and estimating their effects. Often, these effects are nonlinear and include interactions, so linear and additive methods can lead to poor estimation and variable selection. Unfortunately, methods that simultaneously express sparsity, nonlinearity, and interactions are computationally intractable -- with runtime at least quadratic in the number of covariates, and often worse. In the present work, we solve this computational bottleneck. We show that suitable interaction models have a kernel representation, namely there exists a "kernel trick" to perform variable selection and estimation in $O$(# covariates) time. Our resulting fit corresponds to a sparse orthogonal decomposition of the regression function in a Hilbert space (i.e., a functional ANOVA decomposition), where interaction effects represent all variation that cannot be explained by lower-order effects. On a variety of synthetic and real data sets, our approach outperforms existing methods used for large, high-dimensional data sets while remaining competitive (or being orders of magnitude faster) in runtime.

stat.CO↗

arXiv2022

The Kernel Interaction Trick: Fast Bayesian Discovery of Pairwise Interactions in High Dimensions

Discovering interaction effects on a response of interest is a fundamental problem faced in biology, medicine, economics, and many other scientific disciplines. In theory, Bayesian methods for discovering pairwise interactions enjoy many benefits such as coherent uncertainty quantification, the ability to incorporate background knowledge, and desirable shrinkage properties. In practice, however, Bayesian methods are often computationally intractable for even moderate-dimensional problems. Our key insight is that many hierarchical models of practical interest admit a particular Gaussian process (GP) representation; the GP allows us to capture the posterior with a vector of O(p) kernel hyper-parameters rather than O(p^2) interactions and main effects. With the implicit representation, we can run Markov chain Monte Carlo (MCMC) over model hyper-parameters in time and memory linear in p per iteration. We focus on sparsity-inducing models and show on datasets with a variety of covariate behaviors that our method: (1) reduces runtime by orders of magnitude over naive applications of MCMC, (2) provides lower Type I and Type II error relative to state-of-the-art LASSO-based approaches, and (3) offers improved computational scaling in high dimensions relative to existing Bayesian and LASSO-based approaches.

stat.CO↗

arXiv2022

Approximate Cross-Validation with Low-Rank Data in High Dimensions

Many recent advances in machine learning are driven by a challenging trifecta: large data size $N$; high dimensions; and expensive algorithms. In this setting, cross-validation (CV) serves as an important tool for model assessment. Recent advances in approximate cross validation (ACV) provide accurate approximations to CV with only a single model fit, avoiding traditional CV's requirement for repeated runs of expensive algorithms. Unfortunately, these ACV methods can lose both speed and accuracy in high dimensions -- unless sparsity structure is present in the data. Fortunately, there is an alternative type of simplifying structure that is present in most data: approximate low rank (ALR). Guided by this observation, we develop a new algorithm for ACV that is fast and accurate in the presence of ALR data. Our first key insight is that the Hessian matrix -- whose inverse forms the computational bottleneck of existing ACV methods -- is ALR. We show that, despite our use of the \emph{inverse} Hessian, a low-rank approximation using the largest (rather than the smallest) matrix eigenvalues enables fast, reliable ACV. Our second key insight is that, in the presence of ALR data, error in existing ACV methods roughly grows with the (approximate, low) rank rather than with the (full, high) dimension. These insights allow us to prove theoretical guarantees on the quality of our proposed algorithm -- along with fast-to-compute upper bounds on its error. We demonstrate the speed and accuracy of our method, as well as the usefulness of our bounds, on a range of real and simulated data sets.

stat.ML↗

arXiv2022

Can we globally optimize cross-validation loss? Quasiconvexity in ridge regression

Models like LASSO and ridge regression are extensively used in practice due to their interpretability, ease of use, and strong theoretical guarantees. Cross-validation (CV) is widely used for hyperparameter tuning in these models, but do practical optimization methods minimize the true out-of-sample loss? A recent line of research promises to show that the optimum of the CV loss matches the optimum of the out-of-sample loss (possibly after simple corrections). It remains to show how tractable it is to minimize the CV loss. In the present paper, we show that, in the case of ridge regression, the CV loss may fail to be quasiconvex and thus may have multiple local optima. We can guarantee that the CV loss is quasiconvex in at least one case: when the spectrum of the covariate matrix is nearly flat and the noise in the observed responses is not too high. More generally, we show that quasiconvexity status is independent of many properties of the observed data (response norm, covariate-matrix right singular vectors and singular-value scaling) and has a complex dependence on the few that remain. We empirically confirm our theory using simulated experiments.

stat.ML↗

arXiv2022

Local Exchangeability

Exchangeability -- in which the distribution of an infinite sequence is invariant to reorderings of its elements -- implies the existence of a simple conditional independence structure that may be leveraged in the design of statistical models and inference procedures. In this work, we study a relaxation of exchangeability in which this invariance need not hold precisely. We introduce the notion of local exchangeability -- where swapping data associated with nearby covariates causes a bounded change in the distribution. We prove that locally exchangeable processes correspond to independent observations from an underlying measure-valued stochastic process. Using this main probabilistic result, we show that the local empirical measure of a finite collection of observations provides an approximation of the underlying measure-valued process and Bayesian posterior predictive distributions. The paper concludes with applications of the main theoretical results to a model from Bayesian nonparametrics and covariate-dependent permutation tests.

math.ST↗

arXiv2022

Developing a Series of AI Challenges for the United States Department of the Air Force

Through a series of federal initiatives and orders, the U.S. Government has been making a concerted effort to ensure American leadership in AI. These broad strategy documents have influenced organizations such as the United States Department of the Air Force (DAF). The DAF-MIT AI Accelerator is an initiative between the DAF and MIT to bridge the gap between AI researchers and DAF mission requirements. Several projects supported by the DAF-MIT AI Accelerator are developing public challenge problems that address numerous Federal AI research priorities. These challenges target priorities by making large, AI-ready datasets publicly available, incentivizing open-source solutions, and creating a demand signal for dual use technologies that can stimulate further research. In this article, we describe these public challenges being developed and how their application contributes to scientific advances.

cs.AI↗