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Phylogenetic trees are hybrid objects: branch lengths vary continuously, while topologies change discretely through edge contractions and expansions. Billera-Holmes-Vogtmann (BHV) tree space provides a canonical geometry for this structure,…

种群与进化 · 定量生物学 2026-05-22 Yasha Ektefaie , Leo Cui , Shrey Jain , Marinka Zitnik , Pardis Sabeti

Standard convolutions are prevalent in image processing and deep learning, but their fixed kernels limits adaptability. Several deformation strategies of the reference kernel grid have been proposed. Yet, they lack a unified theoretical…

计算机视觉与模式识别 · 计算机科学 2025-07-31 Thomas Dagès , Michael Lindenbaum , Alfred M. Bruckstein

An accurate assessment of a model's complexity is crucial for topics such as interpretation, generalization, and model selection. However, most existing complexity measures either rely on heuristic assumptions or are computationally…

机器学习 · 统计学 2026-05-21 Oskar Allerbo , Thomas B. Schön

We propose kernel-gradient drifting, a one-step generative modeling framework that replaces the fixed Euclidean displacement direction in drifting models with directions induced by the kernel itself. Standard drifting is attractive because…

In molecular phylogeny, relationships among organisms are reconstructed using DNA or protein sequences and are displayed as trees. A linear increase in the number of sequences results in an exponential increase of possible trees. Thus,…

基因组学 · 定量生物学 2007-05-23 Kerstin Hoef-Emden

We propose a novel architecture for Graph Neural Networks that is inspired by the idea behind Tree Kernels of measuring similarity between trees by taking into account their common substructures, named fragments. By imposing a series of…

计算与语言 · 计算机科学 2021-10-04 Federico Ruggeri , Marco Lippi , Paolo Torroni

Since the advent of modern bioinformatics, the challenging, multifaceted problem of reconstructing phylogenetic history from biological sequences has hatched perennial statistical and algorithmic innovation. Studies of the phylogenetic…

数据结构与算法 · 计算机科学 2024-03-05 Matthew Andres Moreno , Santiago Rodriguez Papa , Emily Dolson

We propose a novel method for the inference of phylogenetic trees that utilises point configurations on hyperbolic space as its optimisation landscape. Each taxon corresponds to a point of the point configuration, while the evolutionary…

机器学习 · 计算机科学 2021-06-07 Benjamin Wilson

A computationally efficient protocol for machine learning in chemical space using Boltzmann ensembles of conformers as input is proposed; the method is based on rewriting Kernel Ridge Regression expressions in terms of Structured Orthogonal…

化学物理 · 物理学 2025-07-11 Konstantin Karandashev

An important feature of kernel mean embeddings (KME) is that the rate of convergence of the empirical KME to the true distribution KME can be bounded independently of the dimension of the space, properties of the distribution and smoothness…

统计理论 · 数学 2025-04-17 Geoffrey Wolfer , Pierre Alquier

Biological and cellular systems are often modeled as graphs in which vertices represent objects of interest (genes, proteins, drugs) and edges represent relational ties among these objects (binds-to, interacts-with, regulates). This…

机器学习 · 统计学 2017-03-16 Jose Lugo-Martinez , Predrag Radivojac

Phylogenetic trees summarize evolutionary relationships between organisms, and tools to analyze collections of phylogenetic trees enable contrasts between different genes' ancestry. The BHV metric space has enabled the analysis of…

定量方法 · 定量生物学 2026-04-24 Maria Alejandra Valdez Cabrera , Amy D Willis

Data depth is a statistical function that generalizes order and quantiles to the multivariate setting and beyond, with applications spanning over descriptive and visual statistics, anomaly detection, testing, etc. The celebrated halfspace…

机器学习 · 统计学 2023-12-22 Arturo Castellanos , Pavlo Mozharovskyi , Florence d'Alché-Buc , Hicham Janati

Phylogenetic networks model reticulate evolutionary histories. The last two decades have seen an increased interest in establishing mathematical results and developing computational methods for inferring and analyzing these networks. A…

种群与进化 · 定量生物学 2016-06-24 Jiafan Zhu , Yun Yu , Luay Nakhleh

Understanding how neural networks transform input data across layers is fundamental to unraveling their learning and generalization capabilities. Although prior work has used insights from kernel methods to study neural networks, a global…

机器学习 · 计算机科学 2024-10-30 Amir Joudaki , Thomas Hofmann

Phylogenetics uses alignments of molecular sequence data to learn about evolutionary trees relating species. Along branches, sequence evolution is modelled using a continuous-time Markov process characterised by an instantaneous rate…

This paper introduces a novel approach to probabilistic deep learning, kernel density matrices, which provide a simpler yet effective mechanism for representing joint probability distributions of both continuous and discrete random…

机器学习 · 计算机科学 2024-05-01 Fabio A. González , Raúl Ramos-Pollán , Joseph A. Gallego-Mejia

We present a novel approach to anomaly detection by integrating Generalized Hyperbolic (GH) processes into kernel-based methods. The GH distribution, known for its flexibility in modeling skewness, heavy tails, and kurtosis, helps to…

机器学习 · 计算机科学 2025-01-28 Pauline Bourigault , Danilo P. Mandic

Both biological and artificial neural networks inherently balance their performance with their operational cost, which balances their computational abilities. Typically, an efficient neuromorphic neural network is one that learns…

神经元与认知 · 定量生物学 2023-12-25 Hugo J. Ladret , Christian Casanova , Laurent Udo Perrinet

Recently, much attention has been given to understanding recombination events along a chromosome in a variety of field. For instance, many population genetics problems are limited by the inaccuracy of inferred evolutionary histories of…

定量方法 · 定量生物学 2017-10-31 Jacqueline Kane , Joseph Rusinko , Katherine Thompson