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Metal-organic frameworks (MOFs) are highly interesting and tunable materials. By incorporating spatial defects into their atomic structure, MOFs can be finetuned to exhibit precise chemical functionalities, extending their applicability in…

材料科学 · 物理学 2025-04-08 Pieter Dobbelaere , Sander Vandenhaute , Veronique Van Speybroeck

Protein function and dynamics are closely related to its sequence and structure. However prediction of protein function and dynamics from its sequence and structure is still a fundamental challenge in molecular biology. Protein…

生物大分子 · 定量生物学 2015-10-06 Zixuan Cang , Lin Mu , Kedi Wu , Kristopher Opron , Kelin Xia , Guo-Wei Wei

Heterogeneous information networks (HINs) with rich semantics are ubiquitous in real-world applications. For a given HIN, many reasonable clustering results with distinct semantic meaning can simultaneously exist. User-guided clustering is…

社会与信息网络 · 计算机科学 2019-09-24 Yu Shi , Xinwei He , Naijing Zhang , Carl Yang , Jiawei Han

Multi-camera multi-object tracking (MCMOT) faces significant challenges in maintaining consistent object identities across varying camera perspectives, particularly when precise calibration and extensive annotations are required. In this…

计算机视觉与模式识别 · 计算机科学 2026-05-12 Ruiqi Xian , Deep Patel , Iain Melvin , Sanjoy Kundu , Martin Renqiang Min , Dinesh Manocha

Multi-human parsing is an image segmentation task necessitating both instance-level and fine-grained category-level information. However, prior research has typically processed these two types of information through separate branches and…

计算机视觉与模式识别 · 计算机科学 2024-05-21 Jiaming Chu , Lei Jin , Junliang Xing , Jian Zhao

We introduce a general class of combinatorial objects, which we call \emph{multi-complexes}, which simultaneously generalizes graphs, multigraphs, hypergraphs and simplicial and delta complexes. We introduce a natural algebra of…

组合数学 · 数学 2020-11-11 Miodrag Iovanov , Jaiung Jun

Many problems in sequential decision making and stochastic control often have natural multiscale structure: sub-tasks are assembled together to accomplish complex goals. Systematically inferring and leveraging hierarchical structure,…

人工智能 · 计算机科学 2012-12-06 Jake Bouvrie , Mauro Maggioni

The Mapper algorithm is a fundamental tool in exploratory topological data analysis for identifying connectivity and topological clustering in data. Derived from the nerve construction, Mapper graphs can contain additional information about…

计算几何 · 计算机科学 2025-09-30 Halley Fritze

We consider the degree-Rips construction from topological data analysis, which provides a density-sensitive, multiparameter hierarchical clustering algorithm. We analyze its stability to perturbations of the input data using the…

统计理论 · 数学 2025-06-24 Alexander Rolle , Luis Scoccola

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…

定量方法 · 定量生物学 2018-01-08 Kedi Wu , Zhixiong Zhao , Renxiao Wang , Guo-Wei Wei

We present a machine learning approach that leverages persistent homology to classify bacterial flagellar motors into two functional states: rotated and stalled. By embedding protein structural data into a topological framework, we extract…

生物大分子 · 定量生物学 2025-12-19 Zakaria Lamine , Abdelatif Hafid , Mohamed Rahouti

We introduce a consistent estimator for the homology (an algebraic structure representing connected components and cycles) of level sets of both density and regression functions. Our method is based on kernel estimation. We apply this…

统计理论 · 数学 2016-09-30 Omer Bobrowski , Sayan Mukherjee , Jonathan E. Taylor

Multivariate Hawkes Processes (MHPs) are an important class of temporal point processes that have enabled key advances in understanding and predicting social information systems. However, due to their complex modeling of temporal…

机器学习 · 计算机科学 2020-03-02 Maximilian Nickel , Matthew Le

Microstructure of materials is often characterized through image analysis to understand processing-structure-properties linkages. We propose a largely automated framework that integrates unsupervised and supervised learning methods to…

应用统计 · 统计学 2025-09-05 Kungang Zhang , Wei Chen , Wing K. Liu , L. Catherine Brinson , Daniel W. Apley

Topological Data Analysis has grown in popularity in recent years as a way to apply tools from algebraic topology to large data sets. One of the main tools in topological data analysis is persistent homology. This paper uses undergraduate…

代数拓扑 · 数学 2024-06-26 Cheyne Glass , Elizabeth Vidaurre

A fundamental challenge in multiparameter persistent homology is the absence of a complete and discrete invariant. To address this issue, we propose an enhanced framework that realizes a holistic understanding of a fully commutative…

代数拓扑 · 数学 2023-11-14 Yasuaki Hiraoka , Ken Nakashima , Ippei Obayashi , Chenguang Xu

The identification and classification of transitions in topological and microstructural regimes in pattern-forming processes are critical for understanding and fabricating microstructurally precise novel materials in many application…

材料科学 · 物理学 2022-08-12 Marcin Abram , Keith Burghardt , Greg Ver Steeg , Aram Galstyan , Remi Dingreville

Given a finite set in a metric space, the topological analysis generalizes hierarchical clustering using a 1-parameter family of homology groups to quantify connectivity in all dimensions. The connectivity is compactly described by the…

计算几何 · 计算机科学 2016-07-22 Herbert Edelsbrunner , Hubert Wagner

Hyperuniformity refers to the suppression of density fluctuations at large scales. Typical for ordered systems, this property also emerges in several disordered physical and biological systems, where it is particularly relevant to…

统计力学 · 物理学 2025-02-24 Abel H. G. Milor , Marco Salvalaglio

We develop a diagrammatic technique to represent the multi-point cumulative probability density function (CPDF) of mass fluctuations in terms of the statistical properties of individual collapsed objects and relate this to other statistical…

天体物理学 · 物理学 2009-10-31 Dipak Munshi , Peter Coles , Adrian L. Melott