James G. Scott

Tianyu Chen, Vansh Bansal, James G. Scott

Neural posterior estimation (NPE), a simulation-based computational approach for Bayesian inference, has shown great success in approximating complex posterior distributions. Existing NPE methods typically rely on normalizing flows, which approximate a distribution by composing many simple, invertible transformations. But flow-based models, while state of the art for NPE, are known to suffer from several limitations, including training instability and sharp trade-offs between representational power and computational cost. In this work, we demonstrate the effectiveness of conditional diffusions coupled with high-capacity summary networks for amortized NPE. Conditional diffusions address many of the challenges faced by flow-based methods. Our results show that, across a highly varied suite of benchmarking problems for NPE architectures, diffusions offer improved stability, superior accuracy, and faster training times, even with simpler, shallower models. Building on prior work on diffusions for NPE, we show that these gains persist across a variety of different summary network architectures. Code is available at https://github.com/TianyuCodings/cDiff.

Wesley Tansey, Karl Pichotta, James G. Scott

We present an approach to deep estimation of discrete conditional probability distributions. Such models have several applications, including generative modeling of audio, image, and video data. Our approach combines two main techniques: dyadic partitioning and graph-based smoothing of the discrete space. By recursively decomposing each dimension into a series of binary splits and smoothing over the resulting distribution using graph-based trend filtering, we impose a strict structure to the model and achieve much higher sample efficiency. We demonstrate the advantages of our model through a series of benchmarks on both synthetic and real-world datasets, in some cases reducing the error by nearly half in comparison to other popular methods in the literature. All of our models are implemented in Tensorflow and publicly available at https://github.com/tansey/sdp .

Vansh Bansal, Tianyu Chen, James G. Scott

Neural Posterior Estimation (NPE) has emerged as a powerful approach for amortized Bayesian inference when the true posterior $p(θ\mid y)$ is intractable or difficult to sample. But evaluating the accuracy of neural posterior estimates remains challenging, with existing methods suffering from major limitations. One appealing and widely used method is the classifier two-sample test (C2ST), where a classifier is trained to distinguish samples from the true posterior $p(θ\mid y)$ versus the learned NPE approximation $q(θ\mid y)$. Yet despite the appealing simplicity of the C2ST, its theoretical and practical reliability depend upon having access to a near-Bayes-optimal classifier -- a requirement that is rarely met and, at best, difficult to verify. Thus a major open question is: can a weak classifier still be useful for neural posterior validation? We show that the answer is yes. Building on the work of Hu and Lei, we present several key results for a conformal variant of the C2ST, which converts any trained classifier's scores -- even those of weak or over-fitted models -- into exact finite-sample p-values. We establish two key theoretical properties of the conformal C2ST: (i) finite-sample Type-I error control, and (ii) non-trivial power that degrades gently in tandem with the error of the trained classifier. The upshot is that even weak, biased, or overfit classifiers can still yield powerful and reliable tests. Empirically, the Conformal C2ST outperforms classical discriminative tests across a wide range of benchmarks. These results reveal the under appreciated strength of weak classifiers for validating neural posterior estimates, establishing the conformal C2ST as a practical, theoretically grounded diagnostic for modern simulation-based inference.

Tianyu Chen, Vansh Bansal, James G. Scott

We consider the problem of validating whether a neural posterior estimate \( q(θ\mid x) \) is an accurate approximation to the true, unknown true posterior \( p(θ\mid x) \). Existing methods for evaluating the quality of an NPE estimate are largely derived from classifier-based tests or divergence measures, but these suffer from several practical drawbacks. As an alternative, we introduce the \emph{Conditional Localization Test} (CoLT), a principled method designed to detect discrepancies between \( p(θ\mid x) \) and \( q(θ\mid x) \) across the full range of conditioning inputs. Rather than relying on exhaustive comparisons or density estimation at every \( x \), CoLT learns a localization function that adaptively selects points $θ_l(x)$ where the neural posterior $q$ deviates most strongly from the true posterior $p$ for that $x$. This approach is particularly advantageous in typical simulation-based inference settings, where only a single draw \( θ\sim p(θ\mid x) \) from the true posterior is observed for each conditioning input, but where the neural posterior \( q(θ\mid x) \) can be sampled an arbitrary number of times. Our theoretical results establish necessary and sufficient conditions for assessing distributional equality across all \( x \), offering both rigorous guarantees and practical scalability. Empirically, we demonstrate that CoLT not only performs better than existing methods at comparing $p$ and $q$, but also pinpoints regions of significant divergence, providing actionable insights for model refinement. These properties position CoLT as a state-of-the-art solution for validating neural posterior estimates.

Wesley Tansey, Jesse Thomason, James G. Scott

We consider the problem of estimating a regression function in the common situation where the number of features is small, where interpretability of the model is a high priority, and where simple linear or additive models fail to provide adequate performance. To address this problem, we present Maximum Variance Total Variation denoising (MVTV), an approach that is conceptually related both to CART and to the more recent CRISP algorithm, a state-of-the-art alternative method for interpretable nonlinear regression. MVTV divides the feature space into blocks of constant value and fits the value of all blocks jointly via a convex optimization routine. Our method is fully data-adaptive, in that it incorporates highly robust routines for tuning all hyperparameters automatically. We compare our approach against CART and CRISP via both a complexity-accuracy tradeoff metric and a human study, demonstrating that that MVTV is a more powerful and interpretable method.

Wesley Tansey, James G. Scott

We consider the problem of estimating a regression function in the common situation where the number of features is small, where interpretability of the model is a high priority, and where simple linear or additive models fail to provide adequate performance. To address this problem, we present GapTV, an approach that is conceptually related both to CART and to the more recent CRISP algorithm, a state-of-the-art alternative method for interpretable nonlinear regression. GapTV divides the feature space into blocks of constant value and fits the value of all blocks jointly via a convex optimization routine. Our method is fully data-adaptive, in that it incorporates highly robust routines for tuning all hyperparameters automatically. We compare our approach against CART and CRISP and demonstrate that GapTV finds a much better trade-off between accuracy and interpretability.

Wesley Tansey, Edward W. Lowe, James G. Scott

Smart phone apps that enable users to easily track their diets have become widespread in the last decade. This has created an opportunity to discover new insights into obesity and weight loss by analyzing the eating habits of the users of such apps. In this paper, we present diet2vec: an approach to modeling latent structure in a massive database of electronic diet journals. Through an iterative contract-and-expand process, our model learns real-valued embeddings of users' diets, as well as embeddings for individual foods and meals. We demonstrate the effectiveness of our approach on a real dataset of 55K users of the popular diet-tracking app LoseIt\footnote{http://www.loseit.com/}. To the best of our knowledge, this is the largest fine-grained diet tracking study in the history of nutrition and obesity research. Our results suggest that diet2vec finds interpretable results at all levels, discovering intuitive representations of foods, meals, and diets.

Wesley Tansey, Karl Pichotta, James G. Scott

The vast majority of the neural network literature focuses on predicting point values for a given set of response variables, conditioned on a feature vector. In many cases we need to model the full joint conditional distribution over the response variables rather than simply making point predictions. In this paper, we present two novel approaches to such conditional density estimation (CDE): Multiscale Nets (MSNs) and CDE Trend Filtering. Multiscale nets transform the CDE regression task into a hierarchical classification task by decomposing the density into a series of half-spaces and learning boolean probabilities of each split. CDE Trend Filtering applies a k-th order graph trend filtering penalty to the unnormalized logits of a multinomial classifier network, with each edge in the graph corresponding to a neighboring point on a discretized version of the density. We compare both methods against plain multinomial classifier networks and mixture density networks (MDNs) on a simulated dataset and three real-world datasets. The results suggest the two methods are complementary: MSNs work well in a high-data-per-feature regime and CDE-TF is well suited for few-samples-per-feature scenarios where overfitting is a primary concern.

Wesley Tansey, James G. Scott

We propose a new algorithm for solving the graph-fused lasso (GFL), a method for parameter estimation that operates under the assumption that the signal tends to be locally constant over a predefined graph structure. Our key insight is to decompose the graph into a set of trails which can then each be solved efficiently using techniques for the ordinary (1D) fused lasso. We leverage these trails in a proximal algorithm that alternates between closed form primal updates and fast dual trail updates. The resulting techinque is both faster than previous GFL methods and more flexible in the choice of loss function and graph structure. Furthermore, we present two algorithms for constructing trail sets and show empirically that they offer a tradeoff between preprocessing time and convergence rate.

Oscar Hernan Madrid Padilla, James G. Scott

We present an approach for penalized tensor decomposition (PTD) that estimates smoothly varying latent factors in multi-way data. This generalizes existing work on sparse tensor decomposition and penalized matrix decompositions, in a manner parallel to the generalized lasso for regression and smoothing problems. Our approach presents many nontrivial challenges at the intersection of modeling and computation, which are studied in detail. An efficient coordinate-wise optimization algorithm for (PTD) is presented, and its convergence properties are characterized. The method is applied both to simulated data and real data on flu hospitalizations in Texas. These results show that our penalized tensor decomposition can offer major improvements on existing methods for analyzing multi-way data that exhibit smooth spatial or temporal features.

Nicholas G. Polson, James G. Scott, Brandon T. Willard

In this paper we develop proximal methods for statistical learning. Proximal point algorithms are useful in statistics and machine learning for obtaining optimization solutions for composite functions. Our approach exploits closed-form solutions of proximal operators and envelope representations based on the Moreau, Forward-Backward, Douglas-Rachford and Half-Quadratic envelopes. Envelope representations lead to novel proximal algorithms for statistical optimisation of composite objective functions which include both non-smooth and non-convex objectives. We illustrate our methodology with regularized Logistic and Poisson regression and non-convex bridge penalties with a fused lasso norm. We provide a discussion of convergence of non-descent algorithms with acceleration and for non-convex functions. Finally, we provide directions for future research.

Mingyuan Zhou, Oscar Hernan Madrid Padilla, James G. Scott

We define a family of probability distributions for random count matrices with a potentially unbounded number of rows and columns. The three distributions we consider are derived from the gamma-Poisson, gamma-negative binomial, and beta-negative binomial processes. Because the models lead to closed-form Gibbs sampling update equations, they are natural candidates for nonparametric Bayesian priors over count matrices. A key aspect of our analysis is the recognition that, although the random count matrices within the family are defined by a row-wise construction, their columns can be shown to be i.i.d. This fact is used to derive explicit formulas for drawing all the columns at once. Moreover, by analyzing these matrices' combinatorial structure, we describe how to sequentially construct a column-i.i.d. random count matrix one row at a time, and derive the predictive distribution of a new row count vector with previously unseen features. We describe the similarities and differences between the three priors, and argue that the greater flexibility of the gamma- and beta- negative binomial processes, especially their ability to model over-dispersed, heavy-tailed count data, makes these well suited to a wide variety of real-world applications. As an example of our framework, we construct a naive-Bayes text classifier to categorize a count vector to one of several existing random count matrices of different categories. The classifier supports an unbounded number of features, and unlike most existing methods, it does not require a predefined finite vocabulary to be shared by all the categories, and needs neither feature selection nor parameter tuning. Both the gamma- and beta- negative binomial processes are shown to significantly outperform the gamma-Poisson process for document categorization, with comparable performance to other state-of-the-art supervised text classification algorithms.

James G. Scott, Liang Sun

We present a family of expectation-maximization (EM) algorithms for binary and negative-binomial logistic regression, drawing a sharp connection with the variational-Bayes algorithm of Jaakkola and Jordan (2000). Indeed, our results allow a version of this variational-Bayes approach to be re-interpreted as a true EM algorithm. We study several interesting features of the algorithm, and of this previously unrecognized connection with variational Bayes. We also generalize the approach to sparsity-promoting priors, and to an online method whose convergence properties are easily established. This latter method compares favorably with stochastic-gradient descent in situations with marked collinearity.

Nicholas G. Polson, James G. Scott, Jesse Windle

We propose a new data-augmentation strategy for fully Bayesian inference in models with binomial likelihoods. The approach appeals to a new class of Polya-Gamma distributions, which are constructed in detail. A variety of examples are presented to show the versatility of the method, including logistic regression, negative binomial regression, nonlinear mixed-effects models, and spatial models for count data. In each case, our data-augmentation strategy leads to simple, effective methods for posterior inference that: (1) circumvent the need for analytic approximations, numerical integration, or Metropolis-Hastings; and (2) outperform other known data-augmentation strategies, both in ease of use and in computational efficiency. All methods, including an efficient sampler for the Polya-Gamma distribution, are implemented in the R package BayesLogit. In the technical supplement appended to the end of the paper, we provide further details regarding the generation of Polya-Gamma random variables; the empirical benchmarks reported in the main manuscript; and the extension of the basic data-augmentation framework to contingency tables and multinomial outcomes.