Regression
Distributed Bayesian Posterior Sampling via Moment Sharing
We propose a distributed Markov chain Monte Carlo (MCMC) inference algorithm for large scale Bayesian posterior simulation. We assume that the dataset is partitioned and stored across nodes of a cluster. Our procedure involves an independent MCMC posterior sampler at each node based on its local partition of the data. Moment statistics of the local posteriors are collected from each sampler and propagated across the cluster using expectation propagation message passing with low communication costs. The moment sharing scheme improves posterior estimation quality by enforcing agreement among the samplers. We demonstrate the speed and inference quality of our method with empirical studies on Bayesian logistic regression and sparse linear regression with a spike-and-slab prior.
Robust Logistic Regression and Classification
We consider logistic regression with arbitrary outliers in the covariate matrix. We propose a new robust logistic regression algorithm, called RoLR, that estimates the parameter through a simple linear programming procedure. We prove that RoLR is robust to a constant fraction of adversarial outliers. To the best of our knowledge, this is the first result on estimating logistic regression model when the covariate matrix is corrupted with any performance guarantees. Besides regression, we apply RoLR to solving binary classification problems where a fraction of training samples are corrupted.
Multivariate Regression with Calibration
We propose a new method named calibrated multivariate regression (CMR) for fitting high dimensional multivariate regression models. Compared to existing methods, CMR calibrates the regularization for each regression task with respect to its noise level so that it is simultaneously tuning insensitive and achieves an improved finite-sample performance. Computationally, we develop an efficient smoothed proximal gradient algorithm which has a worst-case iteration complexity $O(1/\epsilon)$, where $\epsilon$ is a pre-specified numerical accuracy. Theoretically, we prove that CMR achieves the optimal rate of convergence in parameter estimation. We illustrate the usefulness of CMR by thorough numerical simulations and show that CMR consistently outperforms other high dimensional multivariate regression methods. We also apply CMR on a brain activity prediction problem and find that CMR is as competitive as the handcrafted model created by human experts.
On Sparse Gaussian Chain Graph Models
In this paper, we address the problem of learning the structure of Gaussian chain graph models in a high-dimensional space. Chain graph models are generalizations of undirected and directed graphical models that contain a mixed set of directed and undirected edges. While the problem of sparse structure learning has been studied extensively for Gaussian graphical models and more recently for conditional Gaussian graphical models (CGGMs), there has been little previous work on the structure recovery of Gaussian chain graph models. We consider linear regression models and a re-parameterization of the linear regression models using CGGMs as building blocks of chain graph models. We argue that when the goal is to recover model structures, there are many advantages of using CGGMs as chain component models over linear regression models, including convexity of the optimization problem, computational efficiency, recovery of structured sparsity, and ability to leverage the model structure for semi-supervised learning. We demonstrate our approach on simulated and genomic datasets.
Exact Post Model Selection Inference for Marginal Screening
We develop a framework for post model selection inference, via marginal screening, in linear regression. At the core of this framework is a result that characterizes the exact distribution of linear functions of the response $y$, conditional on the model being selected (``condition on selection framework). This allows us to construct valid confidence intervals and hypothesis tests for regression coefficients that account for the selection procedure. In contrast to recent work in high-dimensional statistics, our results are exact (non-asymptotic) and require no eigenvalue-like assumptions on the design matrix $X$. Furthermore, the computational cost of marginal regression, constructing confidence intervals and hypothesis testing is negligible compared to the cost of linear regression, thus making our methods particularly suitable for extremely large datasets. Although we focus on marginal screening to illustrate the applicability of the condition on selection framework, this framework is much more broadly applicable. We show how to apply the proposed framework to several other selection procedures including orthogonal matching pursuit and marginal screening+Lasso.
On The Variability of Concept Activation Vectors
Wenkmann, Julia, Garreau, Damien
One of the most pressing challenges in artificial intelligence is to make models more transparent to their users. Recently, explainable artificial intelligence has come up with numerous method to tackle this challenge. A promising avenue is to use concept-based explanations, that is, high-level concepts instead of plain feature importance score. Among this class of methods, Concept Activation vectors (CAVs), Kim et al. (2018) stands out as one of the main protagonists. One interesting aspect of CAVs is that their computation requires sampling random examples in the train set. Therefore, the actual vectors obtained may vary from user to user depending on the randomness of this sampling. In this paper, we propose a fine-grained theoretical analysis of CAVs construction in order to quantify their variability. Our results, confirmed by experiments on several real-life datasets, point out towards an universal result: the variance of CAVs decreases as $1/N$, where $N$ is the number of random examples. Based on this we give practical recommendations for a resource-efficient application of the method.
End-to-End Deep Learning for Predicting Metric Space-Valued Outputs
Zhou, Yidong, Iao, Su I, Mรผller, Hans-Georg
Many modern applications involve predicting structured, non-Euclidean outputs such as probability distributions, networks, and symmetric positive-definite matrices. These outputs are naturally modeled as elements of general metric spaces, where classical regression techniques that rely on vector space structure no longer apply. We introduce E2M (End-to-End Metric regression), a deep learning framework for predicting metric space-valued outputs. E2M performs prediction via a weighted Frรฉchet means over training outputs, where the weights are learned by a neural network conditioned on the input. This construction provides a principled mechanism for geometry-aware prediction that avoids surrogate embeddings and restrictive parametric assumptions, while fully preserving the intrinsic geometry of the output space. We establish theoretical guarantees, including a universal approximation theorem that characterizes the expressive capacity of the model and a convergence analysis of the entropy-regularized training objective. Through extensive simulations involving probability distributions, networks, and symmetric positive-definite matrices, we show that E2M consistently achieves state-of-the-art performance, with its advantages becoming more pronounced at larger sample sizes. Applications to human mortality distributions and New York City taxi networks further demonstrate the flexibility and practical utility of the framework.
Differentially Private Two-Stage Gradient Descent for Instrumental Variable Regression
Liang, Haodong, Jin, Yanhao, Balasubramanian, Krishnakumar, Lai, Lifeng
Instrumental variable regression (IV aR) is a key tool in causal inference, designed to recover structural parameters when standard estimators fail due to endogeneity. In many observational settings, covariates are influenced by unobserved confounders, causing naive methods (such as the ordinary least squares (OLS) in the context of linear regression) to produce biased and inconsistent estimates. IV aR circumvents this by leveraging instruments, which are variables that are predictive of the endogenous regressors but independent of hidden confounders, to enable consistent estimation of causal effects [Hausman, 2001, Wooldridge, 2010, Angrist and Krueger, 2001]. This perspective is increasingly important in machine learning, for example in recommendation systems where user exposure is confounded by prior preferences [Si et al., 2022], or in reinforcement learning where actions and rewards are jointly influenced by unobserved context [Xu et al., 2023]. In such settings, IV aR provides a principled way to disentangle causal effects from spurious correlations, enabling more reliable decision making. However, many applications of IV aR involve sensitive data, such as individual health records, financial transactions, or user interactions, where protecting privacy is of paramount importance.
Deep P-Spline: Theory, Fast Tuning, and Application
Hung, Noah Yi-Ting, Lin, Li-Hsiang, Calhoun, Vince D.
Deep neural networks (DNNs) have been widely applied to solve real-world regression problems. However, selecting optimal network structures remains a significant challenge. This study addresses this issue by linking neuron selection in DNNs to knot placement in basis expansion techniques. We introduce a difference penalty that automates knot selection, thereby simplifying the complexities of neuron selection. We name this method Deep P-Spline (DPS). This approach extends the class of models considered in conventional DNN modeling and forms the basis for a latent variable modeling framework using the Expectation-Conditional Maximization (ECM) algorithm for efficient network structure tuning with theoretical guarantees. From a nonparametric regression perspective, DPS is proven to overcome the curse of dimensionality, enabling the effective handling of datasets with a large number of input variable, a scenario where conventional nonparametric regression methods typically underperform. This capability motivates the application of the proposed methodology to computer experiments and image data analyses, where the associated regression problems involving numerous inputs are common. Numerical results validate the effectiveness of the model, underscoring its potential for advanced nonlinear regression tasks.
TR2-D2: Tree Search Guided Trajectory-Aware Fine-Tuning for Discrete Diffusion
Tang, Sophia, Zhu, Yuchen, Tao, Molei, Chatterjee, Pranam
Reinforcement learning with stochastic optimal control offers a promising framework for diffusion fine-tuning, where a pre-trained diffusion model is optimized to generate paths that lead to a reward-tilted distribution. While these approaches enable optimization without access to explicit samples from the optimal distribution, they require training on rollouts under the current fine-tuned model, making them susceptible to reinforcing sub-optimal trajectories that yield poor rewards. To overcome this challenge, we introduce TRee Search Guided TRajectory-Aware Fine-Tuning for Discrete Diffusion (TR2-D2), a novel framework that optimizes reward-guided discrete diffusion trajectories with tree search to construct replay buffers for trajectory-aware fine-tuning. These buffers are generated using Monte Carlo Tree Search (MCTS) and subsequently used to fine-tune a pre-trained discrete diffusion model under a stochastic optimal control objective. We validate our framework on single- and multi-objective fine-tuning of biological sequence diffusion models, highlighting the overall effectiveness of TR2-D2 for reliable reward-guided fine-tuning in discrete sequence generation.