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We present a graph neural network (GNN) based surrogate framework for molecular dynamics simulations that directly predicts atomic displacements and learns the underlying evolution operator of an atomistic system. Unlike conventional…

Materials Science · Physics 2025-12-29 Judah Immanuel , Avik Mahata , Aniruddha Maiti

Motivation: Gene regulatory interactions are of fundamental importance to various biological functions and processes. However, only a few previous computational studies have claimed success in revealing genome-wide regulatory landscapes…

Molecular Networks · Quantitative Biology 2017-02-09 Shupeng Gui , Rui Chen , Liang Wu , Ji Liu , Hongyu Miao

The switch-like character of gene regulation has motivated the use of hybrid, discrete-continuous models of genetic regulatory networks. While powerful techniques for the analysis, verification, and control of hybrid systems have been…

Quantitative Methods · Quantitative Biology 2016-08-14 Grégory Batt , Delphine Ropers , Hidde De Jong , Michel Page , Johannes Geiselmann

We perform geometrization of genetics by representing genetic information by points of the 4-adic {\it information space.} By well known theorem of number theory this space can also be represented as the 2-adic space. The process of…

Other Quantitative Biology · Quantitative Biology 2007-05-23 Andrei Khrennikov

We propose a fully spectral, neuro\-symbolic reasoning architecture that leverages Graph Signal Processing (GSP) as the primary computational backbone for integrating symbolic logic and neural inference. Unlike conventional reasoning models…

Artificial Intelligence · Computer Science 2025-08-22 Andrew Kiruluta

Human emotion is expressed, perceived and captured using a variety of dynamic data modalities, such as speech (verbal), videos (facial expressions) and motion sensors (body gestures). We propose a generalized approach to emotion recognition…

Computer Vision and Pattern Recognition · Computer Science 2021-03-24 A. Shirian , S. Tripathi , T. Guha

This paper introduces a convex optimization framework for identifying switched network systems, in which both the node dynamics and the underlying graph topology switch between a finite number of configurations. Building on our recent…

Optimization and Control · Mathematics 2025-10-29 Kaito Iwasaki , Anthony Bloch , Maani Ghaffari

Gene regulatory networks (GRNs) control cellular function and decision making during tissue development and homeostasis. Mathematical tools based on dynamical systems theory are often used to model these networks, but the size and…

Molecular Networks · Quantitative Biology 2018-03-16 Edgar Herrera-Delgado , Ruben Perez-Carrasco , James Briscoe , Peter Sollich

Transformer-based models have recently shown success in representation learning on graph-structured data beyond natural language processing and computer vision. However, the success is limited to small-scale graphs due to the drawbacks of…

Machine Learning · Computer Science 2022-10-05 Jinyoung Park , Seongjun Yun , Hyeonjin Park , Jaewoo Kang , Jisu Jeong , Kyung-Min Kim , Jung-woo Ha , Hyunwoo J. Kim

Understanding how gene regulatory networks (GRNs) give rise to stable and dynamic cellular states remains a central challenge in theoretical biology, particularly when slow epigenetic feedback reshapes the underlying regulatory landscape.…

Molecular Networks · Quantitative Biology 2026-04-15 Sascha H. Hauck , Sandip Saha , Narsis A. Kiani , Jesper N. Tegner

Gene regulatory network inference is crucial for understanding the complex molecular interactions in various genetic and environmental conditions. The rapid development of single-cell RNA sequencing (scRNA-seq) technologies unprecedentedly…

Methodology · Statistics 2021-11-09 Feiyi Xiao , Junjie Tang , Huaying Fang , Ruibin Xi

Constructing gene regulatory networks is a fundamental task in systems biology. We introduce a Gaussian reciprocal graphical model for inference about gene regulatory relationships by integrating mRNA gene expression and DNA level…

Methodology · Statistics 2016-07-26 Yang Ni , Yuan Ji , Peter Mueller

Understanding dynamic systems like disease outbreaks, social influence, and information diffusion requires effective modeling of complex networks. Traditional evaluation methods for static networks often fall short when applied to temporal…

Social and Information Networks · Computer Science 2025-09-26 Alireza Rashnu , Sadegh Aliakbary

Gradient Symbolic Computation is proposed as a means of solving discrete global optimization problems using a neurally plausible continuous stochastic dynamical system. Gradient symbolic dynamics involves two free parameters that must be…

Computation and Language · Computer Science 2018-01-12 Paul Tupper , Paul Smolensky , Pyeong Whan Cho

The characterisation of the brain as a functional network in which the connections between brain regions are represented by correlation values across time series has been very popular in the last years. Although this representation has…

Machine Learning · Computer Science 2021-09-28 Ahmed El-Gazzar , Rajat Mani Thomas , Guido van Wingen

In many domains data is currently represented as graphs and therefore, the graph representation of this data becomes increasingly important in machine learning. Network data is, implicitly or explicitly, always represented using a graph…

Machine Learning · Computer Science 2022-01-31 George Dasoulas , Johannes Lutzeyer , Michalis Vazirgiannis

Graph Convolutional Networks (GCNs) have recently been shown to be quite successful in modeling graph-structured data. However, the primary focus has been on handling simple undirected graphs. Multi-relational graphs are a more general and…

Machine Learning · Computer Science 2020-01-22 Shikhar Vashishth , Soumya Sanyal , Vikram Nitin , Partha Talukdar

This paper aims at revisiting Graph Convolutional Neural Networks by bridging the gap between spectral and spatial design of graph convolutions. We theoretically demonstrate some equivalence of the graph convolution process regardless it is…

Machine Learning · Computer Science 2020-03-27 Muhammet Balcilar , Guillaume Renton , Pierre Heroux , Benoit Gauzere , Sebastien Adam , Paul Honeine

Complex networks lend themselves to the modeling of multidimensional data, such as relational and/or temporal data. In particular, when such complex data and their inherent relationships need to be formalized, complex network modeling and…

Machine Learning · Computer Science 2021-05-13 Stefan Bloemheuvel , Jurgen van den Hoogen , Martin Atzmueller

This chapter discusses the interplay between structure and dynamics in complex networks. Given a particular network with an endowed dynamics, our goal is to find partitions aligned with the dynamical process acting on top of the network. We…

Social and Information Networks · Computer Science 2020-05-08 Michael T. Schaub , Jean-Charles Delvenne , Renaud Lambiotte , Mauricio Barahona