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This work presents novel algorithms for learning Bayesian network structures with bounded treewidth. Both exact and approximate methods are developed. The exact method combines mixed-integer linear programming formulations for structure…

Artificial Intelligence · Computer Science 2014-06-09 Siqi Nie , Denis Deratani Maua , Cassio Polpo de Campos , Qiang Ji

Personalized medicine is the future of medical practice. In oncology, tumor heterogeneity assessment represents a pivotal step for effective treatment planning and prognosis prediction. Despite new procedures for DNA sequencing and…

Surrogate models provide a low computational cost alternative to evaluating expensive functions. The construction of accurate surrogate models with large numbers of independent variables is currently prohibitive because it requires a large…

Machine Learning · Computer Science 2017-08-10 Mohamed Amine Bouhlel , Joaquim R. R. A. Martins

Tree structures appear in many fields of the life sciences, including phylogenetics, developmental biology and nucleic acid structures. Trees can be used to represent RNA secondary structures, which directly relate to the function of…

Machine Learning · Computer Science 2026-01-22 Pengyu Liu , Mariel Vázquez , Nataša Jonoska

Tree Containment is a fundamental problem in phylogenetics useful for verifying a proposed phylogenetic network, representing the evolutionary history of certain species. Tree Containment asks whether the given phylogenetic tree (for…

Populations and Evolution · Quantitative Biology 2024-06-14 Arkadiy Dushatskiy , Esther Julien , Leen Stougie , Leo van Iersel

In the field of decision trees, most previous studies have difficulty ensuring the statistical optimality of a prediction of new data and suffer from overfitting because trees are usually used only to represent prediction functions to be…

Machine Learning · Computer Science 2023-06-13 Yuta Nakahara , Shota Saito , Naoki Ichijo , Koki Kazama , Toshiyasu Matsushima

This paper considers the challenging computational task of estimating nested expectations. Existing algorithms, such as nested Monte Carlo or multilevel Monte Carlo, are known to be consistent but require a large number of samples at both…

Machine Learning · Statistics 2025-06-05 Zonghao Chen , Masha Naslidnyk , François-Xavier Briol

Randomized experiments have been critical tools of decision making for decades. However, subjects can show significant heterogeneity in response to treatments in many important applications. Therefore it is not enough to simply know which…

Machine Learning · Computer Science 2017-09-13 Yan Zhao , Xiao Fang , David Simchi-Levi

Bayesian inference in deep neural networks is challenging due to the high-dimensional, strongly multi-modal parameter posterior density landscape. Markov chain Monte Carlo approaches asymptotically recover the true posterior but are…

We study the problem of performing automated experiment design for drug screening through Bayesian inference and optimisation. In particular, we compare and contrast the behaviour of linear-Gaussian models and Gaussian processes, when used…

Machine Learning · Computer Science 2021-05-11 Hannes Eriksson , Christos Dimitrakakis , Lars Carlsson

We review the basic outline of the highly successful diffusion Monte Carlo technique commonly used in contexts ranging from electronic structure calculations to rare event simulation and data assimilation, and propose a new class of…

Numerical Analysis · Mathematics 2017-10-10 Lek-Heng Lim , Jonathan Weare

Quartet Reconstruction, the task of recovering a phylogenetic tree from smaller trees on four species called \textit{quartets}, is a well-studied problem in theoretical computer science with far-reaching connections to statistics, graph…

Data Structures and Algorithms · Computer Science 2026-04-21 Dionysis Arvanitakis , Vaggos Chatziafratis , Yiyuan Luo , Konstantin Makarychev

High-dimensional compositional covariates, often derived from count data, are subject to measurement error and are frequently analyzed after aggregation along a prespecified tree to improve interpretability in applications such as…

Methodology · Statistics 2026-05-18 Zhenghan Li , Tianying Wang

The performance of unsupervised methods such as clustering depends on the choice of distance metric between features, or ground metric. Commonly, ground metrics are decided with heuristics or learned via supervised algorithms. However,…

Machine Learning · Computer Science 2025-01-13 Kira M. Düsterwald , Samo Hromadka , Makoto Yamada

Two kinds of approximation algorithms exist for the k-BALANCED PARTITIONING problem: those that are fast but compute unsatisfying approximation ratios, and those that guarantee high quality ratios but are slow. In this paper we prove that…

Computational Complexity · Computer Science 2019-04-29 Andreas Emil Feldmann

We propose a computationally efficient algorithm for gradient-based linear dimension reduction and high-dimensional regression. The algorithm initially computes a Mondrian forest and uses this estimator to identify a relevant feature…

Statistics Theory · Mathematics 2024-07-16 Ricardo Baptista , Eliza O'Reilly , Yangxinyu Xie

This paper investigates the effectiveness of using the Random Projection Ensemble (RPE) approach in Quadratic Discriminant Analysis (QDA) for ultrahigh-dimensional classification problems. Classical methods such as Linear Discriminant…

Methodology · Statistics 2025-07-10 Annesha Deb , Minerva Mukhopadhyay , Subhajit Dutta

Multivariate time series forecasting with hierarchical structure is widely used in real-world applications, e.g., sales predictions for the geographical hierarchy formed by cities, states, and countries. The hierarchical time series (HTS)…

Machine Learning · Computer Science 2023-10-10 Fan Zhou , Chen Pan , Lintao Ma , Yu Liu , Shiyu Wang , James Zhang , Xinxin Zhu , Xuanwei Hu , Yunhua Hu , Yangfei Zheng , Lei Lei , Yun Hu

We develop an iterative framework for Bayesian inference problems where the posterior distribution may involve computationally intensive models, intractable gradients, significant posterior concentration, and pronounced non-Gaussianity. Our…

Computation · Statistics 2026-03-16 Daniel Sharp , Bart van Bloemen Waanders , Youssef Marzouk

Partitioning large machine learning models across distributed accelerator systems is a complex process, requiring a series of interdependent decisions that are further complicated by internal sharding ambiguities. Consequently, existing…