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Deep generative models for graph-structured data offer a new angle on the problem of chemical synthesis: by optimizing differentiable models that directly generate molecular graphs, it is possible to side-step expensive search procedures in…

Machine Learning · Statistics 2022-09-28 Nicola De Cao , Thomas Kipf

Phylogenetic networks which are, as opposed to trees, suitable to describe processes like hybridization and horizontal gene transfer, play a substantial role in evolutionary research. However, while non-treelike events need to be taken into…

Populations and Evolution · Quantitative Biology 2022-07-06 Mareike Fischer , Tom Niklas Hamann , Kristina Wicke

The need for structures capable of accommodating complex evolutionary signals such as those found in, for example, wheat has fueled research into phylogenetic networks. Such structures generalize the standard phylogenetic tree model by also…

Combinatorics · Mathematics 2015-11-30 Philippe Gambette , Katharina T. Huber , Guillaume E. Scholz

Most genes are part of larger families of evolutionary related genes. The history of gene families typically involves duplications and losses of genes as well as horizontal transfers into other organisms. The reconstruction of detailed gene…

Populations and Evolution · Quantitative Biology 2023-04-25 Marc Hellmuth , Peter F. Stadler

We extend our previous algorithm that generates all labeled graphs with a given graphical degree sequence to generate all labeled triangle-free graphs with a given graphical degree sequence. The algorithm uses various pruning techniques to…

Combinatorics · Mathematics 2026-01-23 Kai Wang

A phylogeny describes the evolutionary history of an evolving population. Evolutionary search algorithms can perfectly track the ancestry of candidate solutions, illuminating a population's trajectory through the search space. However,…

Neural and Evolutionary Computing · Computer Science 2024-02-05 Alexander Lalejini , Marcos Sanson , Jack Garbus , Matthew Andres Moreno , Emily Dolson

This paper introduces PhyloLM, a method adapting phylogenetic algorithms to Large Language Models (LLMs) to explore whether and how they relate to each other and to predict their performance characteristics. Our method calculates a…

Computation and Language · Computer Science 2025-12-09 Nicolas Yax , Pierre-Yves Oudeyer , Stefano Palminteri

This paper proposes FREEtree, a tree-based method for high dimensional longitudinal data with correlated features. Popular machine learning approaches, like Random Forests, commonly used for variable selection do not perform well when there…

Machine Learning · Statistics 2020-06-18 Yuancheng Xu , Athanasse Zafirov , R. Michael Alvarez , Dan Kojis , Min Tan , Christina M. Ramirez

Natural image statistics exhibit hierarchical dependencies across multiple scales. Representing such prior knowledge in non-factorial latent tree models can boost performance of image denoising, inpainting, deconvolution or reconstruction…

Computer Vision and Pattern Recognition · Computer Science 2012-07-03 Young Jun Ko , Matthias Seeger

Motivation: Data volumes generated by next-generation sequencing technolo- gies is now a major concern, both for storage and transmission. This triggered the need for more efficient methods than general purpose compression tools, such as…

Data Structures and Algorithms · Computer Science 2014-12-19 Gaëtan Benoit , Claire Lemaitre , Dominique Lavenier , Guillaume Rizk

Affordable, high-quality whole-genome assemblies have made it possible to construct rich pangenomes that capture haplotype diversity across many species. As these datasets grow, they motivate the development of specialized techniques…

Genomics · Quantitative Biology 2025-12-19 Gorkem Kadir Solun , Ugur Dogrusoz

Semidirected networks have received interest in evolutionary biology as the appropriate generalization of unrooted trees to networks, in which some but not all edges are directed. Yet these networks lack proper theoretical study. We define…

Combinatorics · Mathematics 2024-10-14 Michael Maxfield , Jingcheng Xu , Cécile Ané

Edit distances between merge trees of scalar fields have many applications in scientific visualization, such as ensemble analysis, feature tracking or symmetry detection. In this paper, we propose branch mappings, a novel approach to the…

Computational Geometry · Computer Science 2022-08-12 Florian Wetzels , Heike Leitte , Christoph Garth

Most state-of-the-art techniques for multi-class image segmentation and labeling use conditional random fields defined over pixels or image regions. While region-level models often feature dense pairwise connectivity, pixel-level models are…

Computer Vision and Pattern Recognition · Computer Science 2012-10-23 Philipp Krähenbühl , Vladlen Koltun

Context graphs are essential for modern AI applications including question answering, pattern discovery, and data analysis. Building accurate context graphs from structured databases requires inferring join relationships between entities.…

Databases · Computer Science 2026-03-05 Shivani Tripathi , Ravi Shetye , Shi Qiao , Alekh Jindal

The rapid expansion of genomic sequence data calls for new methods to achieve robust sequence representations. Existing techniques often neglect intricate structural details, emphasizing mainly contextual information. To address this, we…

Machine Learning · Computer Science 2023-12-08 Kacper Kapuśniak , Manuel Burger , Gunnar Rätsch , Amir Joudaki

Motivated by the study of a variant of sunflowers, Alon and Holzman recently introduced focal-free hypergraphs. In this paper, we show that there is an interesting connection between the maximum size of focal-free hypergraphs and the…

Combinatorics · Mathematics 2024-11-01 Xinqi Huang , Chong Shangguan , Xiande Zhang , Yuhao Zhao

In evolutionary biology, phylogenetic networks are graphs that provide a flexible framework for representing complex evolutionary histories that involve reticulate evolutionary events. Recently phylogenetic studies have started to focus on…

Populations and Evolution · Quantitative Biology 2025-11-17 Niels Holtgrefe , Katharina T. Huber , Leo van Iersel , Mark Jones , Vincent Moulton

Autoregressive models excel in efficiency and plug directly into the transformer ecosystem, delivering robust generalization, predictable scalability, and seamless workflows such as fine-tuning and parallelized training. However, they…

Machine Learning · Computer Science 2025-06-13 Samuel Belkadi , Steve Hong , Marian Chen , Miruna Cretu , Charles Harris , Pietro Lio

Finding the structure of a graphical model has been received much attention in many fields. Recently, it is reported that the non-Gaussianity of data enables us to identify the structure of a directed acyclic graph without any prior…

Artificial Intelligence · Computer Science 2010-06-28 Yoshinobu Kawahara , Kenneth Bollen , Shohei Shimizu , Takashi Washio
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