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Real-time supervisory control of advanced reactors requires accurate forecasting of plant-wide thermal-hydraulic states, including locations where physical sensors are unavailable. Meeting this need calls for surrogate models that combine…

Machine Learning · Computer Science 2026-05-19 Akzhol Almukhametov , Doyeong Lim , Rui Hu , Yang Liu

We present a novel model Graph Neural Stochastic Differential Equations (Graph Neural SDEs). This technique enhances the Graph Neural Ordinary Differential Equations (Graph Neural ODEs) by embedding randomness into data representation using…

Machine Learning · Computer Science 2023-08-25 Richard Bergna , Felix Opolka , Pietro Liò , Jose Miguel Hernandez-Lobato

Cellular response to environmental and internal signals can be modeled by dynamical gene regulatory networks (GRN). In the literature, three main classes of gene network models can be distinguished: (i) non-quantitative (or data-based)…

Molecular Networks · Quantitative Biology 2025-05-08 Nicolas Champagnat , Rodolphe Loubaton , Laurent Vallat , Pierre Vallois

In spite of the recent interest and advances in linear controllability of complex networks, controlling nonlinear network dynamics remains to be an outstanding problem. We develop an experimentally feasible control framework for nonlinear…

Molecular Networks · Quantitative Biology 2015-09-24 Le-Zhi Wang , Ri-Qi Su , Zi-Gang Huang , Xiao Wang , Wenxu Wang , Celso Grebogi , Ying-Cheng Lai

We propose a new method in which a generative network (GN) integrate into a reduced-order model (ROM) framework is used to solve inverse problems for partial differential equations (PDE). The aim is to match available measurements and…

Machine Learning · Computer Science 2025-06-17 Vinicius L. S. Silva , Claire E. Heaney , Nenko Nenov , Christopher C. Pain

We propose a novel Stochastic Differential Equation (SDE) framework to address the problem of learning uncertainty-aware representations for graph-structured data. While Graph Neural Ordinary Differential Equations (GNODEs) have shown…

Machine Learning · Computer Science 2025-09-15 Richard Bergna , Sergio Calvo-Ordoñez , Felix L. Opolka , Pietro Liò , Jose Miguel Hernandez-Lobato

There has been an increasing interest in inferring future links on temporal knowledge graphs (KG). While links on temporal KGs vary continuously over time, the existing approaches model the temporal KGs in discrete state spaces. To this…

Machine Learning · Computer Science 2022-06-03 Zhen Han , Zifeng Ding , Yunpu Ma , Yujia Gu , Volker Tresp

We propose a novel machine learning approach for inferring causal variables of a target variable from observations. Our focus is on directly inferring a set of causal factors without requiring full causal graph reconstruction, which is…

Machine Learning · Computer Science 2025-10-01 Jang-Hyun Kim , Claudia Skok Gibbs , Sangdoo Yun , Hyun Oh Song , Kyunghyun Cho

The response of complex networks to perturbations is of utmost importance in areas as diverse as ecosystem management, emergency response, and cell reprogramming. A fundamental property of networks is that the perturbation of one node can…

Molecular Networks · Quantitative Biology 2011-05-20 Sean P. Cornelius , William L. Kath , Adilson E. Motter

Divergent brain connectivity is thought to underlie the behavioral and cognitive symptoms observed in many neurodevelopmental disorders. Quantifying divergence from neurotypical connectivity patterns offers a promising pathway to inform…

Neurons and Cognition · Quantitative Biology 2024-11-19 Rui Sherry Shen , Yusuf Osmanlıoğlu , Drew Parker , Darien Aunapu , Benjamin E. Yerys , Birkan Tunç , Ragini Verma

In evolutionary computation, it is commonly assumed that a search algorithm acquires knowledge about a problem instance by sampling solutions from the search space and evaluating them with a fitness function. This is necessarily inefficient…

Neural and Evolutionary Computing · Computer Science 2024-11-12 Piotr Wyrwiński , Krzysztof Krawiec

Neural ordinary differential equations (ODEs) have been attracting increasing attention in various research domains recently. There have been some works studying optimization issues and approximation capabilities of neural ODEs, but their…

Machine Learning · Computer Science 2022-03-04 Hanshu Yan , Jiawei Du , Vincent Y. F. Tan , Jiashi Feng

The exploration of Graph Neural Networks (GNNs) for processing graph-structured data has expanded, particularly their potential for causal analysis due to their universal approximation capabilities. Anticipated to significantly enhance…

Machine Learning · Computer Science 2024-01-30 Simi Job , Xiaohui Tao , Taotao Cai , Lin Li , Haoran Xie , Jianming Yong

Living organisms must respond to environmental changes. Generally, accurate and rapid responses are provided by simple, unidirectional networks that connect inputs with outputs. Besides accuracy and speed, biological responses should also…

Molecular Networks · Quantitative Biology 2021-09-01 Masayo Inoue , Kunihiko Kaneko

Temporal Graph Neural Network (TGNN) has been receiving a lot of attention recently due to its capability in modeling time-evolving graph-related tasks. Similar to Graph Neural Networks, it is also non-trivial to interpret predictions made…

Machine Learning · Computer Science 2022-12-05 Minh N. Vu , My T. Thai

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

In this paper, we implement Neural Ordinary Differential Equations in a Variational Autoencoder setting for generative time series modeling. An object-oriented approach to the code was taken to allow for easier development and research and…

Machine Learning · Computer Science 2022-01-14 M. L. Garsdal , V. Søgaard , S. M. Sørensen

The advent of single-cell technology has significantly improved our understanding of cellular states and subpopulations in various tissues under normal and diseased conditions by employing data-driven approaches such as clustering and…

Gene Regulatory Network (GRN) plays an important role in knowing insight of cellular life cycle. It gives information about at which different environmental conditions genes of particular interest get over expressed or under expressed.…

Computational Engineering, Finance, and Science · Computer Science 2013-10-10 Chanda Panse , Dr. Manali Kshirsagar

Many physical processes such as weather phenomena or fluid mechanics are governed by partial differential equations (PDEs). Modelling such dynamical systems using Neural Networks is an active research field. However, current methods are…

Machine Learning · Computer Science 2022-10-12 Andrzej Dulny , Andreas Hotho , Anna Krause
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