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Generative molecular design has moved from proof-of-concept to real-world applicability, as marked by the surge in very recent papers reporting experimental validation. Key challenges in explainability and sample efficiency present…

Biomolecules · Quantitative Biology 2024-03-05 Jeff Guo , Philippe Schwaller

Simulation-based inference (SBI) has become an important tool in cosmology for extracting additional information from observational data using simulations. However, all cosmological simulations are approximations of the actual universe, and…

Cosmology and Nongalactic Astrophysics · Physics 2025-07-08 Sébastien Pierre , Bruno Régaldo-Saint Blancard , ChangHoon Hahn , Michael Eickenberg

Each gene has its own evolutionary history which can substantially differ from the evolutionary histories of other genes. For example, some individual genes or operons can be affected by specific horizontal gene transfer and recombination…

Populations and Evolution · Quantitative Biology 2022-05-26 Nadia Tahiri , Bernard Fichet , Vladimir Makarenkov

Phylogenetic analyses which include fossils or molecular sequences that are sampled through time require models that allow one sample to be a direct ancestor of another sample. As previously available phylogenetic inference tools assume…

Populations and Evolution · Quantitative Biology 2014-12-08 Alexandra Gavryushkina , David Welch , Tanja Stadler , Alexei Drummond

Hyperspectral image (HSI) classification presents significant challenges due to the high dimensionality, spectral redundancy, and limited labeled data typically available in real-world applications. To address these issues and optimize…

Computer Vision and Pattern Recognition · Computer Science 2025-04-29 Vita V. Vlasova , Vladimir G. Kuzmin , Maria S. Varetsa , Natalia A. Ibragimova , Oleg Y. Rogov , Elena V. Lyapuntsova

The pattern analysis of tree structure holds significant scientific value for genetic breeding and forestry management. The current trunk and branch extraction technologies are mainly LiDAR-based or UAV-based. The former approaches obtain…

Computer Vision and Pattern Recognition · Computer Science 2025-05-06 Chenyang Fan , Xujie Zhu , Taige Luo , Sheng Xu , Zhulin Chen , Hongxin Yang

This paper introduces Weighted Optimal Classification Forests (WOCFs), a new family of classifiers that takes advantage of an optimal ensemble of decision trees to derive accurate and interpretable classifiers. We propose a novel…

Optimization and Control · Mathematics 2024-12-02 Víctor Blanco , Alberto Japón , Justo Puerto , Peter Zhang

The prevailing method of analyzing GWAS data is still to test each marker individually, although from a statistical point of view it is quite obvious that in case of complex traits such single marker tests are not ideal. Recently several…

Applications · Statistics 2015-06-19 Erich Dolejsi , Bernhard Bodenstorfer , Florian Frommlet

We investigated testing the likelihood of a phylogenetic tree by comparison to its subtree pruning and regrafting (SPR) neighbors, with or without re-optimizing branch lengths. This is inspired by aspects of Bayesian significance tests, and…

Applications · Statistics 2014-07-30 Thurston H. Y. Dang , Elchanan Mossel

We describe a new and computationally efficient Bayesian methodology for inferring species trees and demographics from unlinked binary markers. Likelihood calculations are carried out using diffusion models of allele frequency dynamics…

Populations and Evolution · Quantitative Biology 2019-09-18 Marnus Stoltz , Boris Bauemer , Remco Bouckaert , Colin Fox , Gordon Hiscott , David Bryant

Bayesian phylogenetic inference is currently done via Markov chain Monte Carlo (MCMC) with simple proposal mechanisms. This hinders exploration efficiency and often requires long runs to deliver accurate posterior estimates. In this paper,…

Machine Learning · Statistics 2024-05-24 Cheng Zhang , Frederick A. Matsen

Applying a method to reconstruct a phylogenetic tree from random data provides a way to detect whether that method has an inherent bias towards certain tree `shapes'. For maximum parsimony, applied to a sequence of random 2-state data, each…

Populations and Evolution · Quantitative Biology 2014-06-03 Mareike Fischer , Michelle Galla , Lina Herbst , Mike Steel

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

We study learning-augmented binary search trees (BSTs) via Treaps with carefully designed priorities. The result is a simple search tree in which the depth of each item $x$ is determined by its predicted weight $w_x$. Specifically, each…

Data Structures and Algorithms · Computer Science 2025-05-16 Jingbang Chen , Xinyuan Cao , Alicia Stepin , Li Chen

Tree ensembles such as random forests (RFs) and gradient boosting machines (GBMs) are among the most widely used supervised learners, yet their theoretical properties remain incompletely understood. We adopt a spectral perspective on these…

Machine Learning · Statistics 2026-05-13 Binh Duc Vu , David S. Watson

The weighted multiplier method (WMM) is an extension of the traditional method of back-calculation method to estimate the size of a target population, which synthesizes available evidence from multiple subgroups of the target population…

Computation · Statistics 2025-06-27 Mallory J Flynn , Paul Gustafson

Estimating the effective sample size (ESS) is fundamental in Bayesian phylogenetic inference to properly account for autocorrelation in MCMC samples. While methods for continuous parameters are well established, the discrete and…

Populations and Evolution · Quantitative Biology 2026-03-05 Jonathan Klawitter , Lars Berling , Jordan Douglas , Dong Xie , Alexei J. Drummond

The amount of completely sequenced chloroplast genomes increases rapidly every day, leading to the possibility to build large-scale phylogenetic trees of plant species. Considering a subset of close plant species defined according to their…

Artificial Intelligence · Computer Science 2016-09-01 Bassam AlKindy , Bashar Al-Nuaimi , Christophe Guyeux , Jean-François Couchot , Michel Salomon , Reem Alsrraj , Laurent Philippe

Global optimization of decision trees is a long-standing challenge in combinatorial optimization, yet such models play an important role in interpretable machine learning. Although the problem has been investigated for several decades, only…

Machine Learning · Computer Science 2026-02-03 Jiancheng Tu , Wenqi Fan , Zhibin Wu

We introduce a simple algorithm for reconstructing phylogenies from multiple gene trees in the presence of incomplete lineage sorting, that is, when the topology of the gene trees may differ from that of the species tree. We show that our…

Populations and Evolution · Quantitative Biology 2011-09-30 Elchanan Mossel , Sebastien Roch