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Atomic-level simulations are widely used to study biomolecules and their dynamics. A common goal in such studies is to compare simulations of a molecular system under several conditions -- for example, with various mutations or bound…

Biomolecules · Quantitative Biology 2025-01-07 Martin Vögele , Neil J. Thomson , Sang T. Truong , Jasper McAvity , Ulrich Zachariae , Ron O. Dror

Topological data analysis, as a tool for extracting topological features and characterizing geometric shapes, has experienced significant development across diverse fields. Its key mathematical techniques include persistent homology and the…

Algebraic Topology · Mathematics 2024-04-19 Jian Liu , Dong Chen , Guo-Wei Wei

Interacting systems of events may exhibit cascading behavior where events tend to be temporally clustered. While the cascades themselves may be obvious from the data, it is important to understand which states of the system trigger them.…

Machine Learning · Statistics 2023-11-02 Alessandro Bregoli , Karin Rathsman , Marco Scutari , Fabio Stella , Søren Wengel Mogensen

Pairwise interactions between perturbations to a system can provide evidence for the causal dependencies of the underlying underlying mechanisms of a system. When observations are low dimensional, hand crafted measurements, detecting…

Machine Learning · Computer Science 2024-09-13 Zuheng , Xu , Moksh Jain , Ali Denton , Shawn Whitfield , Aniket Didolkar , Berton Earnshaw , Jason Hartford

This topic review communicates working experiences regarding interaction of a multiplicity of processes. Our experiences come from climate change modelling, materials science, cell physiology and public health, and macroeconomic modelling.…

General Economics · Economics 2020-02-07 Bernhelm Booss-Bavnbek , Rasmus Kristoffer Pedersen , Ulf Rørbæk Pedersen

In the past decades human activities caused global Earth system changes, e.g., climate change or biodiversity loss. Simultaneously, these associated impacts have increased environmental awareness within societies across the globe, thereby…

Physics and Society · Physics 2021-05-11 Paul Manuel Müller , Jobst Heitzig , Jürgen Kurths , Kathy Lüdge , Marc Wiedermann

The outbreak of epidemics, the emergence of the financial crisis, the collapse of ecosystem, and the explosive spreading of rumors, we face many challenges in today's world. These real-world problems can be abstracted into a sequential…

Physics and Society · Physics 2020-02-25 Gui-Yuan Shi , Rui-Jie Wu , Yi-Xiu Kong , Kim Sneppen

Cloud computing offers an opportunity to run compute-resource intensive climate models at scale by parallelising model runs such that datasets useful to the exoplanet community can be produced efficiently. To better understand the…

We present PyOECP, a Python-based flexible open-source software for estimating and modeling the complex permittivity obtained from the open-ended coaxial probe (OECP) technique. The transformation of the measured reflection coefficient to…

Instrumentation and Detectors · Physics 2021-10-01 Tae Jun Yoon , Katie A. Maerzke , Robert P. Currier , Alp T. Findikoglu

The capacity of proteins to interact specifically with one another underlies our conceptual understanding of how living systems function. Systems-level study of specificity in protein-protein interactions is complicated by the fact that the…

Biomolecules · Quantitative Biology 2009-11-13 Eric Deeds , orr Ashenberg , Jaline Gerardine , Eugene Shakhnovich

High-dimensional random landscapes underlie phenomena as diverse as glassy physics and optimization in machine learning, and even their simplest toy models already display extraordinarily rich behavior. This thesis aims to deepen our…

Disordered Systems and Neural Networks · Physics 2025-10-28 Alessandro Pacco

Transition graphs capture the memory and sequential response of multistable media, by specifying their evolution under external driving. Microscopically, collections of bistable elements, or hysterons, provide a powerful model for these…

Soft Condensed Matter · Physics 2025-11-27 Margot H. Teunisse , Martin van Hecke

Complex systems often involve higher-order interactions which require us to go beyond their description in terms of pairwise networks. Triadic interactions are a fundamental type of higher-order interaction that occurs when one node…

Adaptation and Self-Organizing Systems · Physics 2026-02-03 Marta Niedostatek , Anthony Baptista , Jun Yamamoto , Jurgen Kurths , Ruben Sanchez Garcia , Ben MacArthur , Ginestra Bianconi

In this paper, we propose a concept to design, track, and compare application-specific feature definitions expressed as sets of critical points. Our work has been inspired by the observation that in many applications a large variety of…

Machine Learning · Computer Science 2020-11-18 Wito Engelke , Talha Bin Masood , Jakob Beran , Rodrigo Caballero , Ingrid Hotz

There is enormous interest -- both mathematically and in diverse applications -- in understanding the dynamics of coupled oscillator networks. The real-world motivation of such networks arises from studies of the brain, the heart, ecology,…

Dynamical Systems · Mathematics 2023-08-22 Stephen Coombes , Mustafa Sayli , Rüdiger Thul , Rachel Nicks , Mason A Porter , Yi Ming Lai

A presumed impact of global climate change is the increase in frequency and intensity of tropical cyclones. Due to the possible destruction that occurs when tropical cyclones make landfall, understanding their formation should be of mass…

Dynamical Systems · Mathematics 2023-07-31 Katherine Slyman , John A. Gemmer , Nicholas K. Corak , Claire Kiers , Christopher K. R. T. Jones

Medical image processing demands specialized software that handles high-dimensional volumetric data, heterogeneous file formats, and domain-specific training procedures. Existing frameworks either provide low-level components that require…

Computer Vision and Pattern Recognition · Computer Science 2026-02-25 Tianhao Fu , Yucheng Chen

We introduce a Python framework designed to automate the most common tasks associated with the extraction and upscaling of the statistics of single-impact crater functions to inform coefficients of continuum equations describing surface…

Computational Physics · Physics 2014-10-31 Scott A. Norris

Background:Typically, proteins perform key biological functions by interacting with each other. As a consequence, predicting which protein pairs interact is a fundamental problem. Experimental methods are slow, expensive, and may be error…

Biomolecules · Quantitative Biology 2022-02-08 Leonardo Martini , Adriano Fazzone , Luca Becchetti

The dynamic mode decomposition (DMD) is a simple and powerful data-driven modeling technique that is capable of revealing coherent spatiotemporal patterns from data. The method's linear algebra-based formulation additionally allows for a…

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