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Computational models are powerful tools for understanding human cognition and behavior. They let us express our theories clearly and precisely, and offer predictions that can be subtle and often counter-intuitive. However, this same…

Dynamical systems in the life sciences are often composed of complex mixtures of overlapping behavioral regimes. Cellular subpopulations may shift from cycling to equilibrium dynamics or branch towards different developmental fates. The…

Machine Learning · Computer Science 2025-10-13 Nathan Quiblier , Roy Friedman , Matthew Ricci

Understanding and continuously refining multimodal molecular knowledge is crucial for advancing biomedicine, chemistry, and materials science. Molecule language models (MoLMs) have become powerful tools in these domains, integrating…

Machine Learning · Computer Science 2025-12-01 Zhenyu Lei , Patrick Soga , Yaochen Zhu , Yinhan He , Yushun Dong , Jundong Li

We present PyMoosh, a Python-based simulation library designed to provide a comprehensive set of numerical tools allowing to compute essentially all optical characteristics of multilayered structures, ranging from reflectance and…

Computational variant effect predictors (VEPs) are providing increasingly strong evidence to classify the pathogenicity of missense variants. Precision vs. recall analysis is useful in evaluating VEP performance, especially when adjusted…

Genomics · Quantitative Biology 2024-12-16 Cindy Zhang , Frederick P. Roth

Modelling gene regulatory networks not only requires a thorough understanding of the biological system depicted but also the ability to accurately represent this system from a mathematical perspective. Throughout this chapter, we aim to…

Quantitative Methods · Quantitative Biology 2018-05-04 Olivia Angelin-Bonnet , Patrick J. Biggs , Matthieu Vignes

PID control architectures are widely used in industrial applications. Despite their low number of open parameters, tuning multiple, coupled PID controllers can become tedious in practice. In this paper, we extend PILCO, a model-based policy…

Machine Learning · Computer Science 2017-03-09 Andreas Doerr , Duy Nguyen-Tuong , Alonso Marco , Stefan Schaal , Sebastian Trimpe

This article presents an algorithm that allows modeling of biological networks in a qualitative framework with continuous time. Mathematical modeling is used as a systems biology tool to answer biological questions, and more precisely, to…

Molecular Networks · Quantitative Biology 2012-05-30 Gautier Stoll , Eric Viara , Emmanuel Barillot , Laurence Calzone

Multiset rewriting systems provide a formalism particularly suitable for the description of biological systems. We present an extension of this formalism with additional controls on the derivations as a tool for reducing possible…

Formal Languages and Automata Theory · Computer Science 2023-12-21 Matej Troják , Samuel Pastva , David Šafránek , Luboš Brim

Automated data-driven modeling, the process of directly discovering the governing equations of a system from data, is increasingly being used across the scientific community. PySINDy is a Python package that provides tools for applying the…

CurvPy is an open-source Python library for automated curve fitting and regression analysis, aiming to make advanced statistical and machine learning techniques more accessible. This paper explores the mathematical foundations and…

Databases · Computer Science 2024-07-09 Sidharth S S

PANDA (Passing Attributes between Networks for Data Assimilation) is a gene regulatory network inference method that uses message-passing to integrate multiple sources of 'omics data. PANDA was originally coded in C++. In this application…

Quantitative Methods · Quantitative Biology 2016-07-14 David G. P. van IJzendoorn , Kimberly Glass , John Quackenbush , Marieke L. Kuijjer

Shape-constrained nonparametric regression is a growing area in econometrics, statistics, operations research, machine learning and related fields. In the field of productivity and efficiency analysis, recent developments in the…

Computation · Statistics 2021-09-28 Sheng Dai , Yu-Hsueh Fang , Chia-Yen Lee , Timo Kuosmanen

Most supervised machine learning tasks are subject to irreducible prediction errors. Probabilistic predictive models address this limitation by providing probability distributions that represent a belief over plausible targets, rather than…

Machine Learning · Statistics 2022-10-25 David Widmann , Fredrik Lindsten , Dave Zachariah

Control problem in a biological system is the problem of finding an interventional policy for changing the state of the biological system from an undesirable state, e.g. disease, into a desirable healthy state. Boolean networks are utilized…

Molecular Networks · Quantitative Biology 2016-09-07 Mohammad Moradi , Sama Goliaei

We introduce PyChEst, a Python package which provides tools for the simultaneous estimation of multiple changepoints in the distribution of piece-wise stationary time series. The nonparametric algorithms implemented are provably consistent…

Computation · Statistics 2021-12-21 Azadeh Khaleghi , Lukas Zierahn

Complex systems are often modeled as Boolean networks in attempts to capture their logical structure and reveal its dynamical consequences. Approximating the dynamics of continuous variables by discrete values and Boolean logic gates may,…

Molecular Networks · Quantitative Biology 2013-05-29 Johannes Norrell , Joshua E. S. Socolar

Rule-based modeling is a powerful way to model kinetic interactions in biochemical systems. Rules enable a precise encoding of biochemical interactions at the resolution of sites within molecules, but obtaining an integrated global view…

Quantitative Methods · Quantitative Biology 2015-09-04 John A. P. Sekar , Jose-Juan Tapia , James R. Faeder

Deep learning has shown great promise in physiological signal analysis, yet its progress is hindered by heterogeneous data formats, inconsistent preprocessing strategies, fragmented model pipelines, and non-reproducible experimental setups.…

Artificial Intelligence · Computer Science 2025-12-30 Tao Zhou , Lingyu Shu , Zixing Zhang , Jing Han

Synthetic biology brings together concepts and techniques from engineering and biology. In this field, computer-aided design (CAD) is necessary in order to bridge the gap between computational modeling and biological data. An application…

Molecular Networks · Quantitative Biology 2009-07-24 Deepak Chandran , Frank T. Bergmann , Herbert M. Sauro