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DAG Learning from Zero-Inflated Count Data Using Continuous Optimization

arXiv.org Machine Learning

We address network structure learning from zero-inflated count data by casting each node as a zero-inflated generalized linear model and optimizing a smooth, score-based objective under a directed acyclic graph constraint. Our Zero-Inflated Continuous Optimization (ZICO) approach uses node-wise likelihoods with canonical links and enforces acyclicity through a differentiable surrogate constraint combined with sparsity regularization. ZICO achieves superior performance with faster runtimes on simulated data. It also performs comparably to or better than common algorithms for reverse engineering gene regulatory networks. ZICO is fully vectorized and mini-batched, enabling learning on larger variable sets with practical runtimes in a wide range of domains.


Bias-Variance Trade-off for Clipped Stochastic First-Order Methods: From Bounded Variance to Infinite Mean

arXiv.org Machine Learning

Stochastic optimization is fundamental to modern machine learning. Recent research has extended the study of stochastic first-order methods (SFOMs) from light-tailed to heavy-tailed noise, which frequently arises in practice, with clipping emerging as a key technique for controlling heavy-tailed gradients. Extensive theoretical advances have further shown that the oracle complexity of SFOMs depends on the tail index $α$ of the noise. Nonetheless, existing complexity results often cover only the case $α\in (1,2]$, that is, the regime where the noise has a finite mean, while the complexity bounds tend to infinity as $α$ approaches $1$. This paper tackles the general case of noise with tail index $α\in(0,2]$, covering regimes ranging from noise with bounded variance to noise with an infinite mean, where the latter case has been scarcely studied. Through a novel analysis of the bias-variance trade-off in gradient clipping, we show that when a symmetry measure of the noise tail is controlled, clipped SFOMs achieve improved complexity guarantees in the presence of heavy-tailed noise for any tail index $α\in (0,2]$. Our analysis of the bias-variance trade-off not only yields new unified complexity guarantees for clipped SFOMs across this full range of tail indices, but is also straightforward to apply and can be combined with classical analyses under light-tailed noise to establish oracle complexity guarantees under heavy-tailed noise. Finally, numerical experiments validate our theoretical findings.


Randomized multi-class classification under system constraints: a unified approach via post-processing

arXiv.org Machine Learning

We study the problem of multi-class classification under system-level constraints expressible as linear functionals over randomized classifiers. We propose a post-processing approach that adjusts a given base classifier to satisfy general constraints without retraining. Our method formulates the problem as a linearly constrained stochastic program over randomized classifiers, and leverages entropic regularization and dual optimization techniques to construct a feasible solution. We provide finite-sample guarantees for the risk and constraint satisfaction for the final output of our algorithm under minimal assumptions. The framework accommodates a broad class of constraints, including fairness, abstention, and churn requirements.


GraphBench: Next-generation graph learning benchmarking

arXiv.org Machine Learning

Machine learning on graphs has recently achieved impressive progress in various domains, including molecular property prediction and chip design. However, benchmarking practices remain fragmented, often relying on narrow, task-specific datasets and inconsistent evaluation protocols, which hampers reproducibility and broader progress. To address this, we introduce GraphBench, a comprehensive benchmarking suite that spans diverse domains and prediction tasks, including node-level, edge-level, graph-level, and generative settings. GraphBench provides standardized evaluation protocols -- with consistent dataset splits and performance metrics that account for out-of-distribution generalization -- as well as a unified hyperparameter tuning framework. Additionally, we benchmark GraphBench using message-passing neural networks and graph transformer models, providing principled baselines and establishing a reference performance. See www.graphbench.io for further details.


Policy-Aligned Estimation of Conditional Average Treatment Effects

arXiv.org Machine Learning

Firms often develop targeting policies to personalize marketing actions and improve incremental profits. Effective targeting depends on accurately separating customers with positive versus negative treatment effects. We propose an approach to estimate the conditional average treatment effects (CATEs) of marketing actions that aligns their estimation with the firm's profit objective. The method recognizes that, for many customers, treatment effects are so extreme that additional accuracy is unlikely to change the recommended actions. However, accuracy matters near the decision boundary, as small errors can alter targeting decisions. By modifying the firm's objective function in the standard profit maximization problem, our method yields a near-optimal targeting policy while simultaneously estimating CATEs. This introduces a new perspective on CATE estimation, reframing it as a problem of profit optimization rather than prediction accuracy. We establish the theoretical properties of the proposed method and demonstrate its performance and trade-offs using synthetic data.


Robust Variational Bayes by Min-Max Median Aggregation

arXiv.org Machine Learning

We propose a robust and scalable variational Bayes (VB) framework designed to effectively handle contamination and outliers in dataset. Our approach partitions the data into $m$ disjoint subsets and formulates a joint optimization problem based on robust aggregation principles. A key insight is that the full posterior distribution is equivalent to the minimizer of the mean Kullback-Leibler (KL) divergence from the $m$-powered local posterior distributions. To enhance robustness, we replace the mean KL divergence with a min-max median formulation. The min-max formulation not only ensures consistency between the KL minimizer and the Evidence Lower Bound (ELBO) maximizer but also facilitates the establishment of improved statistical rates for the mean of variational posterior. We observe a notable discrepancy in the $m$-powered marginal log likelihood function contingent on the presence of local latent variables. To address this, we treat these two scenarios separately to guarantee the consistency of the aggregated variational posterior. Specifically, when local latent variables are present, we introduce an aggregate-and-rescale strategy. Theoretically, we provide a non-asymptotic analysis of our proposed posterior, incorporating a refined analysis of Bernstein-von Mises (BvM) theorem to accommodate a diverging number of subsets $m$. Our findings indicate that the two-stage approach yields a smaller approximation error compared to directly aggregating the $m$-powered local posteriors. Furthermore, we establish a nearly optimal statistical rate for the mean of the proposed posterior, advancing existing theories related to min-max median estimators. The efficacy of our method is demonstrated through extensive simulation studies.


Iterative Sampling Methods for Sinkhorn Distributionally Robust Optimization

arXiv.org Machine Learning

Distributionally robust optimization (DRO) has emerged as a powerful paradigm for reliable decision-making under uncertainty. This paper focuses on DRO with ambiguity sets defined via the Sinkhorn discrepancy: an entropy-regularized Wasserstein distance, referred to as Sinkhorn DRO. Existing work primarily addresses Sinkhorn DRO from a dual perspective, leveraging its formulation as a conditional stochastic optimization problem, for which many stochastic gradient methods are applicable. However, the theoretical analyses of such methods often rely on the boundedness of the loss function, and it is indirect to obtain the worst-case distribution associated with Sinkhorn DRO. In contrast, we study Sinkhorn DRO from the primal perspective, by reformulating it as a bilevel program with several infinite-dimensional lower-level subproblems over probability space. This formulation enables us to simultaneously obtain the optimal robust decision and the worst-case distribution, which is valuable in practical settings, such as generating stress-test scenarios or designing robust learning algorithms. We propose both double-loop and single-loop sampling-based algorithms with theoretical guarantees to solve this bilevel program. Finally, we demonstrate the effectiveness of our approach through a numerical study on adversarial classification.


Co-Hub Node Based Multiview Graph Learning with Theoretical Guarantees

arXiv.org Machine Learning

Identifying the graphical structure underlying the observed multivariate data is essential in numerous applications. Current methodologies are predominantly confined to deducing a singular graph under the presumption that the observed data are uniform. However, many contexts involve heterogeneous datasets that feature multiple closely related graphs, typically referred to as multiview graphs. Previous research on multiview graph learning promotes edge-based similarity across layers using pairwise or consensus-based regularizers. However, multiview graphs frequently exhibit a shared node-based architecture across different views, such as common hub nodes. Such commonalities can enhance the precision of learning and provide interpretive insight. In this paper, we propose a co-hub node model, positing that different views share a common group of hub nodes. The associated optimization framework is developed by enforcing structured sparsity on the connections of these co-hub nodes. Moreover, we present a theoretical examination of layer identifiability and determine bounds on estimation error. The proposed methodology is validated using both synthetic graph data and fMRI time series data from multiple subjects to discern several closely related graphs.


Amortized Causal Discovery with Prior-Fitted Networks

arXiv.org Machine Learning

In recent years, differentiable penalized likelihood methods have gained popularity, optimizing the causal structure by maximizing its likelihood with respect to the data. However, recent research has shown that errors in likelihood estimation, even on relatively large sample sizes, disallow the discovery of proper structures. We propose a new approach to amortized causal discovery that addresses the limitations of likelihood estimator accuracy. Our method leverages Prior-Fitted Networks (PFNs) to amortize data-dependent likelihood estimation, yielding more reliable scores for structure learning. Experiments on synthetic, simulated, and real-world datasets show significant gains in structure recovery compared to standard baselines. Furthermore, we demonstrate directly that PFNs provide more accurate likelihood estimates than conventional neural network-based approaches.


Covariate-assisted graph matching

arXiv.org Machine Learning

Data integration is essential across diverse domains, from historical records to biomedical research, facilitating joint statistical inference. A crucial initial step in this process involves merging multiple data sources based on matching individual records, often in the absence of unique identifiers. When the datasets are networks, this problem is typically addressed through graph matching methodologies. For such cases, auxiliary features or covariates associated with nodes or edges can be instrumental in achieving improved accuracy. However, most existing graph matching techniques do not incorporate this information, limiting their performance against non-identifiable and erroneous matches. To overcome these limitations, we propose two novel covariate-assisted seeded graph matching methods, where a partial alignment for a set of nodes, called seeds, is known. The first one solves a quadratic assignment problem (QAP) over the whole graph, while the second one only leverages the local neighborhood structure of seed nodes for computational scalability. Both methods are grounded in a conditional modeling framework, where elements of one graph's adjacency matrix are modeled using a generalized linear model (GLM), given the other graph and the available covariates. We establish theoretical guarantees for model estimation error and exact recovery of the solution of the QAP. The effectiveness of our methods is demonstrated through numerical experiments and in an application to matching the statistics academic genealogy and the collaboration networks. By leveraging additional covariates, we achieve improved alignment accuracy. Our work highlights the power of integrating covariate information in the classical graph matching setup, offering a practical and improved framework for combining network data with wide-ranging applications.