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The Nearest Neighbor model is the $\textit{de facto}$ thermodynamic model of RNA secondary structure formation and is a cornerstone of RNA structure prediction and sequence design. The current functional form (Turner 2004) contains…

Biomolecules · Quantitative Biology 2025-05-13 Ryan K. Krueger , Sharon Aviran , David H. Mathews , Jeffrey Zuber , Max Ward

Deep Learning is mostly responsible for the surge of interest in Artificial Intelligence in the last decade. So far, deep learning researchers have been particularly successful in the domain of image processing, where Convolutional Neural…

Machine Learning · Computer Science 2023-08-31 Andrii Skliar , Maurice Weiler

Obtaining continuous representations of structural data such as directed acyclic graphs (DAGs) has gained attention in machine learning and artificial intelligence. However, embedding complex DAGs in which both ancestors and descendants of…

Machine Learning · Computer Science 2019-05-16 Ryota Suzuki , Ryusuke Takahama , Shun Onoda

Phylogenetic networks are generalizations of phylogenetic trees that allow the representation of reticulation events such as horizontal gene transfer or hybridization, and can also represent uncertainty in inference. A subclass of these,…

Populations and Evolution · Quantitative Biology 2019-10-15 Mareike Fischer , Andrew Francis

Hyperbolic spaces have recently gained momentum in the context of machine learning due to their high capacity and tree-likeliness properties. However, the representational power of hyperbolic geometry is not yet on par with Euclidean…

Machine Learning · Computer Science 2018-06-29 Octavian-Eugen Ganea , Gary Bécigneul , Thomas Hofmann

Similarity-based Hierarchical Clustering (HC) is a classical unsupervised machine learning algorithm that has traditionally been solved with heuristic algorithms like Average-Linkage. Recently, Dasgupta reframed HC as a discrete…

Data Structures and Algorithms · Computer Science 2020-10-02 Ines Chami , Albert Gu , Vaggos Chatziafratis , Christopher Ré

Hyperbolic space is becoming a popular choice for representing data due to the hierarchical structure - whether implicit or explicit - of many real-world datasets. Along with it comes a need for algorithms capable of solving fundamental…

Machine Learning · Computer Science 2024-06-25 Lars Doorenbos , Pablo Márquez-Neila , Raphael Sznitman , Pascal Mettes

Motivation: The abundance of gene flow in the Tree of Life challenges the notion that evolution can be represented with a fully bifurcating process, as this process cannot capture important biological realities like hybridization,…

Populations and Evolution · Quantitative Biology 2023-11-10 Zhaoxing Wu , Claudia Solis-Lemus

Reconciling a gene tree with a species tree is an important task that reveals much about the evolution of genes, genomes, and species, as well as about the molecular function of genes. A wide array of computational tools have been devised…

Populations and Evolution · Quantitative Biology 2012-12-11 Yun Yu , Luay Nakhleh

The algebraic properties of flattenings and subflattenings provide direct methods for identifying edges in the true phylogeny -- and by extension the complete tree -- using pattern counts from a sequence alignment. The relatively small…

Populations and Evolution · Quantitative Biology 2022-05-06 Joshua Stevenson , Barbara Holland , Michael Charleston , Jeremy Sumner

Tree-based phylogenetic networks, which may be roughly defined as leaf-labeled networks built by adding arcs only between the original tree edges, have elegant properties for modeling evolutionary histories. We answer an open question of…

In recent years, there has been a growing interest in training Neural Networks to approximate Unsigned Distance Fields (UDFs) for representing open surfaces in the context of 3D reconstruction. However, UDFs are non-differentiable at the…

Computer Vision and Pattern Recognition · Computer Science 2024-06-07 Miguel Fainstein , Viviana Siless , Emmanuel Iarussi

A geophylogeny is a phylogenetic tree (or dendrogram) where each leaf (e.g. biological taxon) has an associated geographic location (site). To clearly visualize a geophylogeny, the tree is typically represented as a crossing-free drawing…

Discrete Mathematics · Computer Science 2025-04-16 Jonathan Klawitter , Felix Klesen , Joris Y. Scholl , Thomas C. van Dijk , Alexander Zaft

Construction of phylogenetic trees has traditionally focused on binary trees where all species appear on leaves, a problem for which numerous efficient solutions have been developed. Certain application domains though, such as viral…

Data Structures and Algorithms · Computer Science 2016-11-01 Dimitris Papamichail , Angela Huang , Andrew Miller , Edward Kennedy , Jan-Lucas Ott , Georgios Papamichail

Decision trees are one of the most useful and popular methods in the machine learning toolbox. In this paper, we consider the problem of learning optimal decision trees, a combinatorial optimization problem that is challenging to solve at…

Machine Learning · Computer Science 2022-07-01 Rahul Mazumder , Xiang Meng , Haoyue Wang

The prevalence of tree-like structures, encompassing hierarchical structures and power law distributions, exists extensively in real-world applications, including recommendation systems, ecosystems, financial networks, social networks, etc.…

Machine Learning · Computer Science 2023-07-18 Menglin Yang , Min Zhou , Lujia Pan , Irwin King

Neural networks and tree ensembles are state-of-the-art learners, each with its unique statistical and computational advantages. We aim to combine these advantages by introducing a new layer for neural networks, composed of an ensemble of…

Machine Learning · Computer Science 2020-07-14 Hussein Hazimeh , Natalia Ponomareva , Petros Mol , Zhenyu Tan , Rahul Mazumder

Embedded topic models are able to learn interpretable topics even with large and heavy-tailed vocabularies. However, they generally hold the Euclidean embedding space assumption, leading to a basic limitation in capturing hierarchical…

Information Retrieval · Computer Science 2022-10-20 Yishi Xu , Dongsheng Wang , Bo Chen , Ruiying Lu , Zhibin Duan , Mingyuan Zhou

Hyperbolic geometry has emerged as a powerful tool for modeling complex, structured data, particularly where hierarchical or tree-like relationships are present. By enabling embeddings with lower distortion, hyperbolic neural networks offer…

Machine Learning · Computer Science 2025-06-18 Pol Arévalo , Alexis Molina , Álvaro Ciudad

In phylogenetics, a central problem is to infer the evolutionary relationships between a set of species $X$; these relationships are often depicted via a phylogenetic tree -- a tree having its leaves univocally labeled by elements of $X$…

Data Structures and Algorithms · Computer Science 2016-04-12 Julien Baste , Christophe Paul , Ignasi Sau , Celine Scornavacca