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A cocomparability graph is a graph whose complement admits a transitive orientation. An interval graph is the intersection graph of a family of intervals on the real line. In this paper we investigate the relationships between interval and…

Discrete Mathematics · Computer Science 2016-11-08 Jérémie Dusart , Michel Habib , Derek G. Corneil

Molecular machine learning has gained popularity with the advancements of geometric deep learning. In parallel, retrieval-augmented generation has become a principled approach commonly used with language models. However, the optimal…

Machine Learning · Computer Science 2025-07-04 Runzhong Wang , Rui-Xi Wang , Mrunali Manjrekar , Connor W. Coley

Geometric relational embeddings map relational data as geometric objects that combine vector information suitable for machine learning and structured/relational information for structured/relational reasoning, typically in low dimensions.…

Artificial Intelligence · Computer Science 2023-04-25 Bo Xiong , Mojtaba Nayyeri , Ming Jin , Yunjie He , Michael Cochez , Shirui Pan , Steffen Staab

In 1998, B\"{o}cker and Dress gave a 1-to-1 correspondence between symbolically dated rooted trees and symbolic ultrametrics. We consider the corresponding problem for unrooted trees. More precisely, given a tree $T$ with leaf set $X$ and a…

Combinatorics · Mathematics 2018-01-19 Stefan Grünewald , Yangjing Long , Yaokun Wu

Counting maximum matchings in a graph is of great interest in statistical mechanics, solid-state chemistry, theoretical computer science, mathematics, among other disciplines. However, it is a challengeable problem to explicitly determine…

Combinatorics · Mathematics 2023-06-26 Tingzeng Wu , Xiaolin Zeng , Huazhong Lv

A merge tree is a fundamental topological structure used to capture the sub-level set (and similarly, super-level set) topology in scalar data analysis. The interleaving distance is a theoretically sound, stable metric for comparing merge…

Computational Geometry · Computer Science 2026-02-13 Althaf P , Amit Chattopadhyay , Osamu Saeki

The number of the non-shared edges of two phylogenies is a basic measure of the dissimilarity between the phylogenies. The non-shared edges are also the building block for approximating a more sophisticated metric called the nearest…

Data Structures and Algorithms · Computer Science 2007-05-23 Wing-Kai Hon , Ming-Yang Kao , Tak-Wah Lam , Wing-Kin Sung , Siu-Ming Yiu

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

Biomedical Knowledge Graphs (BKGs) integrate diverse datasets to elucidate complex relationships within the biomedical field. Effective link prediction on these graphs can uncover valuable connections, such as potential novel drug-disease…

Computation and Language · Computer Science 2025-07-01 Tien Dang , Viet Thanh Duy Nguyen , Minh Tuan Le , Truong-Son Hy

Tree rearrangements such as Nearest Neighbor Interchange (NNI) and Subtree Prune and Regraft (SPR) are commonly used to explore phylogenetic treespace. Computing distances based on them, however, is often intractable, so the efficiently…

Populations and Evolution · Quantitative Biology 2025-12-29 Lena Collienne , Frederick A Matsen

Graph comparison deals with identifying similarities and dissimilarities between graphs. A major obstacle is the unknown alignment of graphs, as well as the lack of accurate and inexpensive comparison metrics. In this work we introduce the…

Machine Learning · Computer Science 2021-12-09 Hermina Petric Maretic , Mireille El Gheche , Giovanni Chierchia , Pascal Frossard

Tree alignment graphs (TAGs) provide an intuitive data structure for storing phylogenetic trees that exhibits the relationships of the individual input trees and can potentially account for nested taxonomic relationships. This paper…

Data Structures and Algorithms · Computer Science 2015-03-16 Ruchi Chaudhary , David Fernandez-Baca , J. Gordon Burleigh

Probabilistic graphical models (PGMs) are powerful tools for solving systems of complex relationships over a variety of probability distributions. However, while tree-structured PGMs always result in efficient and exact solutions, inference…

Machine Learning · Computer Science 2021-11-10 Simon Streicher , Johan du Preez

Tree-based networks are a class of phylogenetic networks that attempt to formally capture what is meant by "tree-like" evolution. A given non-tree-based phylogenetic network, however, might appear to be very close to being tree-based, or…

Populations and Evolution · Quantitative Biology 2020-01-17 Mareike Fischer , Andrew Francis

Binary relations derived from labeled rooted trees play an import role in mathematical biology as formal models of evolutionary relationships. The (symmetrized) Fitch relation formalizes xenology as the pairs of genes separated by at least…

Discrete Mathematics · Computer Science 2023-06-22 Marc Hellmuth , Carsten R. Seemann , Peter F. Stadler

We define Gaussian graphical models on directed acyclic graphs with coloured vertices and edges, calling them RDAG (restricted directed acyclic graph) models. If two vertices or edges have the same colour, their parameters in the model must…

Statistics Theory · Mathematics 2022-05-30 Visu Makam , Philipp Reichenbach , Anna Seigal

Perfect matchings and maximum weight matchings are two fundamental combinatorial structures. We consider the ratio between the maximum weight of a perfect matching and the maximum weight of a general matching. Motivated by the computer…

Discrete Mathematics · Computer Science 2018-11-08 Emilio Vital Brazil , Guilherme D. da Fonseca , Celina de Figueiredo , Diana Sasaki

The Hausdorff distance is a relatively new measure of similarity of graphs. The notion of the Hausdorff distance considers a special kind of a common subgraph of the compared graphs and depends on the structural properties outside of the…

Combinatorics · Mathematics 2023-06-22 Aleksander Kelenc

We consider the problem of graph matching, or learning vertex correspondence, between two correlated stochastic block models (SBMs). The graph matching problem arises in various fields, including computer vision, natural language processing…

Data Structures and Algorithms · Computer Science 2023-06-05 Joonhyuk Yang , Dongpil Shin , Hye Won Chung

Rooted phylogenetic networks provide an explicit representation of the evolutionary history of a set $X$ of sampled species. In contrast to phylogenetic trees which show only speciation events, networks can also accommodate reticulate…

Combinatorics · Mathematics 2021-01-01 Peter L. Erdos , Charles Semple , Mike Steel