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Aqueous solubility and partition coefficient are important physical properties of small molecules. Accurate theoretical prediction of aqueous solubility and partition coefficient plays an important role in drug design and discovery. The…

Quantitative Methods · Quantitative Biology 2018-01-08 Kedi Wu , Zhixiong Zhao , Renxiao Wang , Guo-Wei Wei

Genome assembly using high throughput data with short reads, arguably, remains an unresolvable task in repetitive genomes, since when the length of a repeat exceeds the read length, it becomes difficult to unambiguously connect the flanking…

Quantitative Methods · Quantitative Biology 2013-07-31 Viraj Deshpande , Eric DK Fung , Son Pham , Vineet Bafna

Persistent Homology (PH) is a useful tool to study the underlying structure of a data set. Persistence Diagrams (PDs), which are 2D multisets of points, are a concise summary of the information found by studying the PH of a data set.…

Computational Geometry · Computer Science 2020-11-24 Megan Johnson , Jae-Hun Jung

In this article we propose a novel approach for comparing the persistent homology representations of two spaces (filtrations). Commonly used methods are based on numerical summaries such as persistence diagrams and persistence landscapes,…

Machine Learning · Computer Science 2021-01-05 Yohai Reani , Omer Bobrowski

A simple algorithm is described to sample permutations of identical particles in Path Integral Monte Carlo (PIMC) simulations of continuum many-body systems. The sampling strategy illustrated here is fairly general, and can be easily…

Computational Physics · Physics 2009-11-11 Massimo Boninsegni

This paper introduces persistent homology, which is a powerful tool to characterize the shape of data using the mathematical concept of topology. We explain the fundamental idea of persistent homology from scratch using some examples. We…

Algebraic Topology · Mathematics 2022-05-25 Ippei Obayashi , Takenobu Nakamura , Yasuaki Hiraoka

A hypergraph can be obtained from a simplicial complex by deleting some non-maximal simplices. By [11], a hypergraph gives an associated simplicial complex. By [4], the embedded homology of a hypergraph is the homology of the infimum chain…

Algebraic Topology · Mathematics 2020-06-04 Shiquan Ren , Chong Wang , Chengyuan Wu , Jie Wu

Recently it has been shown that computing the dimension of the first homology group $H_1(K)$ of a simplicial $2$-complex $K$ embedded linearly in $\mathbb{R}^4$ is as hard as computing the rank of a sparse $0-1$ matrix. This puts a major…

Computational Geometry · Computer Science 2019-03-18 Tamal K. Dey

This paper proposes and validates two new particle regularization techniques for the Smoothed Particle Hydrodynamics (SPH) numerical method to improve its stability and accuracy for free surface flow simulations. We introduce a general form…

Fluid Dynamics · Physics 2022-04-05 Mojtaba Jandaghian , Herman Musumari Siaben , Ahmad Shakibaeinia

Persistent homology, a technique from computational topology, has recently shown strong empirical performance in the context of graph classification. Being able to capture long range graph properties via higher-order topological features,…

Machine Learning · Computer Science 2024-12-20 Rubén Ballester , Bastian Rieck

Building upon [2308.02636], we investigate the constraining power of persistent homology on cosmological parameters and primordial non-Gaussianity in a likelihood-free inference pipeline utilizing machine learning. We evaluate the ability…

Cosmology and Nongalactic Astrophysics · Physics 2025-09-22 Juan Calles , Jacky H. T. Yip , Gabriella Contardo , Jorge Noreña , Adam Rouhiainen , Gary Shiu

Simplicial homology is a classical tool that assigns a sequence of modules to a simplicial complex, providing invariants for the study of its topological properties. In this article, we introduce the notion of L-fuzzy simplicial homology, a…

Algebraic Topology · Mathematics 2026-04-10 Javier Perera-Lago , Alvaro Torras-Casas , Rocio Gonzalez-Diaz

The Discrete Morse Theory of Forman appeared to be useful for providing filtration-preserving reductions of complexes in the study of persistent homology. So far, the algorithms computing discrete Morse matchings have only been used for…

Computational Geometry · Computer Science 2015-03-13 Madjid Allili , Tomasz Kaczynski , Claudia Landi

Many datasets can be viewed as a noisy sampling of an underlying space, and tools from topological data analysis can characterize this structure for the purpose of knowledge discovery. One such tool is persistent homology, which provides a…

Simplicial complexes (SCs) have become a popular abstraction for analyzing complex data using tools from topological data analysis or topological signal processing. However, the analysis of many real-world datasets often leads to dense SCs,…

Machine Learning · Statistics 2025-10-07 Anton Savostianov , Michael T. Schaub , Nicola Guglielmi , Francesco Tudisco

Persistent homology is a method for computing the topological features present in a given data. Recently, there has been much interest in the integration of persistent homology as a computational step in neural networks or deep learning. In…

Machine Learning · Computer Science 2020-11-17 Padraig Corcoran , Bailin Deng

We reformulate the persistent (co)homology of simplicial filtrations, viewed from a more algebraic setting, namely as the (co)homology of a chain complex of graded modules over polynomial ring $K[t]$. We also define persistent (co)homology…

Algebraic Topology · Mathematics 2015-03-31 Leon Lampret

Most algorithms for computing persistent homology do so by tracking cycles that represent homology classes. There are many choices of such cycles, and specific choices have found different uses in applications. Although it is known that…

Algebraic Topology · Mathematics 2025-04-01 Dmitriy Morozov , Primoz Skraba

Simplicial homology is a tool that provides a mathematical way to compute the connectivity and the coverage of a cellular network without any node location information. In this article, we use simplicial homology in order to not only…

Networking and Internet Architecture · Computer Science 2018-07-30 Anaïs Vergne , Laurent Decreusefond , Philippe Martins

The weakly compressible Smoothed Particle Hydrodynamics (SPH) is known to suffer from the pressure oscillation, which would undermine the simulation stability and accuracy. To address this issue, we propose a generalized density dissipation…

Fluid Dynamics · Physics 2023-08-30 Bo Xue Zheng , Zhi Wen Cai , Pei Dong Zhao , Xiao Yang Xu , Tak Shing Chan , Peng Yu