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Biological networks exhibit intricate architectures deemed to be crucial for their functionality. In particular, gene regulatory networks, which play a key role in information processing in the cell, display non-trivial architectural…

Physics and Society · Physics 2020-02-13 Pablo Villegas , Miguel A. Muñoz , Juan A. Bonachela

Sequential processes in real-world often carry a combination of simple subsystems that interact with each other in certain forms. Learning such a modular structure can often improve the robustness against environmental changes. In this…

Machine Learning · Computer Science 2023-11-07 Ziyu Wang , Wenhao Jiang , Zixuan Zhang , Wei Tang , Junchi Yan

Motivation: Cell-biological processes are regulated through a complex network of interactions between genes and their products. The processes, their activating conditions, and the associated transcriptional responses are often unknown.…

Molecular Networks · Quantitative Biology 2012-02-03 Leo Lahti , Juha E. A. Knuuttila , Samuel Kaski

Computer algebra methods for analyzing reaction networks often rely on the assumption of mass-action kinetics, which transform the governing ODEs into polynomial systems amenable to techniques such as Gr\"obner basis computation and related…

Molecular Networks · Quantitative Biology 2025-11-19 Richard Golnik , Thomas Gatter , Peter F. Stadler , Nicola Vassena

The energy management problem in the context of smart grids is inherently complex due to the interdependencies among diverse system components. Although Reinforcement Learning (RL) has been proposed for solving Optimal Power Flow (OPF)…

Machine Learning · Computer Science 2026-02-24 Abeer Alsheikhi , Amirfarhad Farhadi , Azadeh Zamanifar

In the big data era, the relationship between entries becomes more and more complex. Many graph (or network) algorithms have already paid attention to dynamic networks, which are more suitable than static ones for fitting the complex…

Machine Learning · Computer Science 2022-11-17 Dongqi Fu , Jingrui He

The complex regulatory dynamics of a biological network can be succinctly captured using discrete logic models. Given even sparse time-course data from the system of interest, previous work has shown that global optimization schemes are…

Molecular Networks · Quantitative Biology 2026-04-22 Joyce Reimer , Pranta Saha , Chris Chen , Neeraj Dhar , Brook Byrns , Steven Rayan , Gordon Broderick

Robust machine learning for regulatory genomics is studied under biologically and technically induced distribution shifts. Deep convolutional and attention based models achieve strong in distribution performance on DNA regulatory sequence…

Genomics · Quantitative Biology 2026-02-20 Yiyao Yang

Time series models are ubiquitous in science, arising in any situation where researchers seek to understand how a system's behaviour changes over time. A key problem in time series modelling is \emph{inference}; determining properties of…

Mathematical Software · Computer Science 2020-01-13 Michael Clerx , Martin Robinson , Ben Lambert , Chon Lok Lei , Sanmitra Ghosh , Gary R. Mirams , David J. Gavaghan

We introduce a novel method to unite deep learning with biology by which generative adversarial networks (GANs) generate transcriptome perturbations and reveal condition-defining gene expression patterns. We find that a generator…

Quantitative Methods · Quantitative Biology 2019-07-02 Colin Targonski , Benjamin T. Shealy , Melissa C. Smith , F. Alex Feltus

Accurate prediction of protein-ligand binding affinity is crucial for rapid and efficient drug development. Recently, the importance of predicting binding affinity has led to increased attention on research that models the three-dimensional…

Machine Learning · Computer Science 2024-07-17 Seungyeon Choi , Sangmin Seo , Sanghyun Park

Publicly launched in 2004, the Google Books project has scanned tens of millions of items in partnership with libraries around the world. As part of this project, Google created the Google Return Interface (GRIN). Through this platform,…

Digital Libraries · Computer Science 2025-11-18 Liza Daly , Matteo Cargnelutti , Catherine Brobston , John Hess , Greg Leppert , Amanda Watson , Jonathan Zittrain

Single-cell data provide high-dimensional measurements of the transcriptional states of cells, but extracting insights into the regulatory functions of genes, particularly identifying transcriptional mechanisms affected by biological…

Molecular Networks · Quantitative Biology 2025-03-27 Paul Bertin , Joseph D. Viviano , Alejandro Tejada-Lapuerta , Weixu Wang , Stefan Bauer , Fabian J. Theis , Yoshua Bengio

While the popularity of physics-informed neural networks (PINNs) is steadily rising, to this date, PINNs have not been successful in simulating multi-scale and singular perturbation problems. In this work, we present a new training paradigm…

Machine Learning · Computer Science 2024-03-27 Zhiwei Fang , Sifan Wang , Paris Perdikaris

Cellular behavior is governed by gene regulatory processes that are intrinsically dynamic and nonlinear, and are subject to non-negligible amounts of random fluctuations. Such conditions are ubiquitous in physical systems, where they have…

Molecular Networks · Quantitative Biology 2011-09-21 Jordi Garcia-Ojalvo

Non-equilibrium chemistry is a key process in the study of the InterStellar Medium (ISM), in particular the formation of molecular clouds and thus stars. However, computationally it is among the most difficult tasks to include in…

Astrophysics of Galaxies · Physics 2022-12-07 Lorenzo Branca , Andrea Pallottini

The evolutionary origins of structural features in reconstructed gene-regulatory networks (GRNs) remain poorly understood, especially given the random aspects of gene expression. Here, we extend a classical model of GRN evolution to allow a…

Populations and Evolution · Quantitative Biology 2026-04-30 Leonardo Ivan Estrella Dzib , James Holehouse

The progression of scientific computing resources has enabled the numerical approximation of mathematical models describing complex physical phenomena. A significant portion of researcher time is typically dedicated to the development of…

Mathematical Software · Computer Science 2015-06-22 Paul T. Bauman , Roy H. Stogner

We develop Structured-Knowledge-Informed Neural Networks (SKINNs), a unified estimation framework that embeds theoretical, simulated, previously learned, or cross-domain insights as differentiable constraints within flexible neural function…

Machine Learning · Statistics 2026-04-02 Yi Cao , Zexun Chen , Lin William Cong , Heqing Shi

Modern implicit generative models such as generative adversarial networks (GANs) are generally known to suffer from issues such as instability, uninterpretability, and difficulty in assessing their performance. If we see these implicit…

Machine Learning · Statistics 2019-11-05 Arash Mehrjou , Wittawat Jitkrittum , Krikamol Muandet , Bernhard Schölkopf