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Machine learning holds tremendous promise for transforming the fundamental practice of scientific discovery by virtue of its data-driven nature. With the ever-increasing stream of research data collection, it would be appealing to…

Machine Learning · Computer Science 2024-03-06 Jianan Fan , Dongnan Liu , Hang Chang , Heng Huang , Mei Chen , Weidong Cai

Despite the remarkable success of large large-scale neural networks, we still lack unified notation for thinking about and describing their representational spaces. We lack methods to reliably describe how their representations are…

Machine Learning · Computer Science 2025-06-02 Henry Conklin

Robustness is key to engineering, automation, and science as a whole. However, the property of robustness is often underpinned by costly requirements such as over-provisioning, known uncertainty and predictive models, and known adversaries.…

Robotics · Computer Science 2021-09-28 Amanda Prorok , Matthew Malencia , Luca Carlone , Gaurav S. Sukhatme , Brian M. Sadler , Vijay Kumar

The success of neural networks across most machine learning tasks and the persistence of adversarial examples have made the verification of such models an important quest. Several techniques have been successfully developed to verify…

Machine Learning · Computer Science 2019-10-14 Nathanaël Fijalkow , Mohit Kumar Gupta

Complex structures are typical in machine learning. Tailoring learning algorithms for every structure requires an effort that may be saved by defining a generic learning procedure adaptive to any complex structure. In this paper, we propose…

Machine Learning · Computer Science 2019-05-28 Pablo Strasser , Stephane Armand , Stephane Marchand-Maillet , Alexandros Kalousis

Complex systems, ranging from soft materials to wireless communication, are often organised as random geometric networks in which nodes and edges evenly fill up the volume of some space. Studying such networks is difficult because they…

Probability · Mathematics 2022-07-19 Ivan Kryven , Rik Versendaal

We demonstrate a modeling and computational framework that allows for rapid screening of thousands of potential network designs for particular dynamic behavior. To illustrate this capability we consider the problem of hysteresis, a…

Dynamical Systems · Mathematics 2021-09-15 Marcio Gameiro , Tomas Gedeon , Shane Kepley , Konstantin Mischaikow

Characterizing structural and dynamic properties of proteins and large macromolecular assemblies is crucial to understand the molecular mechanisms underlying biological functions. In the field of Structural Biology, no single method…

Quantitative Methods · Quantitative Biology 2023-10-04 Samuel Hoff , Maximilian Zinke , Nadia Izadi-Pruneyre , Massimiliano Bonomi

A macroscopic theory for describing cellular states during steady-growth is presented, which is based on the consistency between cellular growth and molecular replication, as well as the robustness of phenotypes against perturbations.…

Populations and Evolution · Quantitative Biology 2021-02-08 Kunihiko Kaneko , Chikara Furusawa

In the context of two illustrative examples from supersymmetric quantum mechanics we show that the semi-classical analysis of the path integral requires complexification of the configuration space and action, and the inclusion of complex…

High Energy Physics - Theory · Physics 2016-01-13 Alireza Behtash , Gerald V. Dunne , Thomas Schaefer , Tin Sulejmanpasic , Mithat Unsal

The structure and dynamics of a typical biological system are complex due to strong and inhomogeneous interactions between its constituents. The investigation of such systems with classical mathematical tools, such as differential equations…

Molecular Networks · Quantitative Biology 2008-02-15 Murat Tuğrul

Mathematical modelling is a cornerstone of computational biology. While mechanistic models might describe the interactions of interest of a system, they are often difficult to study. On the other hand, abstract models might capture key…

Dynamical Systems · Mathematics 2025-05-01 Lucas Jesus Morales-Moya

Physical systems behave according to their underlying dynamical equations which, in turn, can be identified from experimental data. Explaining data requires selecting mathematical models that best capture the data regularities. Identifying…

Data Analysis, Statistics and Probability · Physics 2014-03-18 Carlo Cafaro

Revealing the functional sites of biological sequences, such as evolutionary conserved, structurally interacting or co-evolving protein sites, is a fundamental, and yet challenging task. Different frameworks and models were developed to…

Quantitative Methods · Quantitative Biology 2019-06-07 Justas Dauparas , Haobo Wang , Avi Swartz , Peter Koo , Mor Nitzan , Sergey Ovchinnikov

The protein folding problem has attracted an increasing attention from physicists. The problem has a flavor of statistical mechanics, but possesses the most common feature of most biological problems -- the profound effects of evolution. I…

Statistical Mechanics · Physics 2009-10-31 Chao Tang

Multicellular organisms comprise a diverse collection of stable tissues built from different cell types. It remains unclear how large numbers of interacting cells can precisely coordinate their gene expression during tissue…

Biological Physics · Physics 2022-10-31 Matthew Smart , Anton Zilman

Multisite protein phosphorylation plays a pivotal role in regulating cellular signaling and decision-making processes. In this study, we focus on the mathematical underpinnings and informational aspects of sequential, distributive…

Molecular Networks · Quantitative Biology 2025-07-22 Iman Tavassoly , Adel Mehrpooya , Parsa Mirlohi , Zahra Abbaspourasadollah

The advancement of large language models (LLMs) for real-world applications hinges critically on enhancing their reasoning capabilities. In this work, we explore the reasoning abilities of large language models (LLMs) through their…

Artificial Intelligence · Computer Science 2024-07-04 Romain Cosentino , Sarath Shekkizhar

We investigate a special case of hereditary property in graphs, referred to as {\em robustness}. A property (or structure) is called robust in a graph $G$ if it is inherited by all the connected spanning subgraphs of $G$. We motivate this…

Discrete Mathematics · Computer Science 2019-05-13 Arnaud Casteigts , Swan Dubois , Franck Petit , John M. Robson

With the rise of deep neural networks, the challenge of explaining the predictions of these networks has become increasingly recognized. While many methods for explaining the decisions of deep neural networks exist, there is currently no…

Machine Learning · Computer Science 2022-07-13 Ian E. Nielsen , Dimah Dera , Ghulam Rasool , Nidhal Bouaynaya , Ravi P. Ramachandran
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