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Recovering dynamical equations from observed noisy data is the central challenge of system identification. We develop a statistical mechanics approach to analyze sparse equation discovery algorithms, which typically balance data fit and…

Statistical Mechanics · Physics 2025-09-16 Andrei A. Klishin , Joseph Bakarji , J. Nathan Kutz , Krithika Manohar

Bottom-up coarse-grained molecular dynamics models are parameterized using complex effective Hamiltonians. These models are typically optimized to approximate high dimensional data from atomistic simulations. In contrast, human validation…

Chemical Physics · Physics 2021-09-16 Aleksander Evren Paetzold Durumeric , Gregory A. Voth

Large-scale neuroscience is generating rich datasets across animals, brain areas and behavioral contexts, yet our modeling efforts remains fragmented across isolated experiments. We argue that understanding behavior requires integrative…

Modern life sciences research is increasingly relying on artificial intelligence approaches to model biological systems, primarily centered around the use of machine learning (ML) models. Although ML is undeniably useful for identifying…

Dynamical systems are used to model a variety of phenomena in which the bifurcation structure is a fundamental characteristic. Here we propose a statistical machine-learning approach to derive lowdimensional models that automatically…

Quantitative Methods · Quantitative Biology 2015-06-11 Yohei Kondo , Kunihiko Kaneko , Shuji Ishihara

The ability to automatically discover interpretable mathematical models from data could forever change how we model soft matter systems. For convex discovery problems with a unique global minimum, model discovery is well-established. It…

Soft Condensed Matter · Physics 2024-04-11 Kevin Linka , Ellen Kuhl

Living systems, particularly multicellular systems, often seem hopelessly complex. But recent studies have suggested that beneath this complexity, there may be unifying quantitative principles that we are only now starting to unravel. All…

Molecular Networks · Quantitative Biology 2016-03-01 Eduardo P. Olimpio , Diego R. Gomez-Alvarez , Hyun Youk

State-space models are dynamical systems defined by a latent and an observed process. In ecology, stochastic state-space models in discrete time are most often used to describe the imperfectly observed dynamics of population sizes or animal…

Methodology · Statistics 2025-08-13 Frederic Barraquand , Julien Gibaud

Quantitative aspects of computation are important and sometimes essential in characterising the behavior and determining the properties of systems. They are related to the use of physical quantities (storage space, time, bandwidth, etc.) as…

Logic in Computer Science · Computer Science 2013-08-15 Luca Bortolussi , Herbert Wiklicky

Reactions forming a pathway can be rewritten by making explicit the different molecular components involved in them. A molecular component represents a biological entity (e.g. a protein) in all its states (free, bound, degraded, etc.). In…

Computational Engineering, Finance, and Science · Computer Science 2013-10-01 Andrea Maggiolo-Schettini , Paolo Milazzo , Giovanni Pardini

Predicting and enhancing inherent properties based on molecular structures is paramount to design tasks in medicine, materials science, and environmental management. Most of the current machine learning and deep learning approaches have…

Machine Learning · Computer Science 2024-04-08 Zachary R. Fox , Ayana Ghosh

Multiscale modeling of complex systems is crucial for understanding their intricacies. Data-driven multiscale modeling has emerged as a promising approach to tackle challenges associated with complex systems. On the other hand,…

Machine Learning · Computer Science 2024-03-26 Ruyi Tao , Ningning Tao , Yi-zhuang You , Jiang Zhang

Linear compartmental models are a widely used tool for analyzing systems arising in biology, medicine, and more. In such settings, it is essential to know whether model parameters can be recovered from experimental data. This is the…

Combinatorics · Mathematics 2025-11-18 Katherine Clemens , Jonathan Martinez , Anne Shiu , Michaela Thompson , Benjamin Warren

Substitution of well-grounded theoretical models by data-driven predictions is not as simple in engineering and sciences as it is in social and economic fields. Scientific problems suffer most times from paucity of data, while they may…

Machine Learning · Computer Science 2020-11-18 Jacobo Ayensa-Jiménez , Mohamed H. Doweidar , Jose Antonio Sanz-Herrera , Manuel Doblaré

Learning an explainable classifier often results in low accuracy model or ends up with a huge rule set, while learning a deep model is usually more capable of handling noisy data at scale, but with the cost of hard to explain the result and…

Artificial Intelligence · Computer Science 2022-11-11 Yuanlong Li , Gaopan Huang , Min Zhou , Chuan Fu , Honglin Qiao , Yan He

The study of cellular signalling pathways and their deregulation in disease states, such as cancer, is a large and extremely complex task. Indeed, these systems involve many parts and processes but are studied piecewise and their…

Artificial Intelligence · Computer Science 2016-08-22 Adrien Basso-Blandin , Walter Fontana , Russ Harmer

Experimental data is often comprised of variables measured independently, at different sampling rates (non-uniform ${\Delta}$t between successive measurements); and at a specific time point only a subset of all variables may be sampled.…

Machine Learning · Computer Science 2023-05-01 Saurabh Malani , Tom S. Bertalan , Tianqi Cui , Jose L. Avalos , Michael Betenbaugh , Ioannis G. Kevrekidis

Predictive models that are developed in a regulated industry or a regulated application, like determination of credit worthiness, must be interpretable and rational (e.g., meaningful improvements in basic credit behavior must result in…

Machine Learning · Statistics 2018-06-13 Bob Vanderheyden , Jennifer Priestley

Bayesian methods have been very successful in quantifying uncertainty in physics-based problems in parameter estimation and prediction. In these cases, physical measurements y are modeled as the best fit of a physics-based model…

Data Analysis, Statistics and Probability · Physics 2015-02-06 Dave Higdon , Jordan D. McDonnell , Nicolas Schunck , Jason Sarich , Stefan M. Wild

Real-world data is often incomplete and contains missing values. To train accurate models over real-world datasets, users need to spend a substantial amount of time and resources imputing and finding proper values for missing data items. In…

Machine Learning · Statistics 2024-03-05 Cheng Zhen , Nischal Aryal , Arash Termehchy , Alireza Aghasi , Amandeep Singh Chabada
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