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Retrosynthesis is one of the fundamental problems in organic chemistry. The task is to identify reactants that can be used to synthesize a specified product molecule. Recently, computer-aided retrosynthesis is finding renewed interest from…

Machine Learning · Computer Science 2020-01-07 Hanjun Dai , Chengtao Li , Connor W. Coley , Bo Dai , Le Song

A system for Operational Risk management based on the computational paradigm of Bayesian Networks is presented. The algorithm allows the construction of a Bayesian Network targeted for each bank using only internal loss data, and takes into…

Risk Management · Quantitative Finance 2012-02-14 V. Aquaro , M. Bardoscia , R. Bellotti , A. Consiglio , F. De Carlo , G. Ferri

We consider the problem of inferring the topology of a network using the measurements available at the end nodes, without cooperation from the internal nodes. To this end, we provide a simple method to obtain path interference which…

Networking and Internet Architecture · Computer Science 2019-03-19 Anurag Rai , Eytan Modiano

We present a new inference method based on approximate Bayesian computation for estimating parameters governing an entire network based on link-traced samples of that network. To do this, we first take summary statistics from an observed…

Computation · Statistics 2017-01-17 Jack Davis , Steven K. Thompson

In this article, we present a method to reconstruct the topology of a partially observed radial network of linear dynamical systems with bi-directional interactions. Our approach exploits the structure of the inverse power spectral density…

Systems and Control · Computer Science 2018-07-13 Saurav Talukdar , Deepjyoti Deka , Michael Chertkov , Murti Salapaka

Currently, we are overwhelmed by a deluge of experimental data, and network physics has the potential to become an invaluable method to increase our understanding of large interacting datasets. However, this potential is often unrealized…

Data Analysis, Statistics and Probability · Physics 2017-10-30 Juyong Lee , Steven P. Gross , Jooyoung Lee

Recent genomic and bioinformatic advances have motivated the development of numerous random network models purporting to describe graphs of biological, technological, and sociological origin. The success of a model has been evaluated by how…

Molecular Networks · Quantitative Biology 2007-05-23 Manuel Middendorf , Etay Ziv , Carter Adams , Jen Hom , Robin Koytcheff , Chaya Levovitz , Gregory Woods , Linda Chen , Chris Wiggins

Inferring genetic networks from gene expression data is one of the most challenging work in the post-genomic era, partly due to the vast space of possible networks and the relatively small amount of data available. In this field, Gaussian…

Methodology · Statistics 2011-05-18 Marine Jeanmougin , Mickael Guedj , Christophe Ambroise

The irreducible complexity of natural phenomena has led Graph Neural Networks to be employed as a standard model to perform representation learning tasks on graph-structured data. While their capacity to capture local and global patterns is…

Machine Learning · Computer Science 2024-02-13 Lorenzo Giusti

Network inference approaches are now widely used in biological applications to probe regulatory relationships between molecular components such as genes or proteins. Many methods have been proposed for this setting, but the connections and…

Applications · Statistics 2014-06-03 Chris. J. Oates , Sach Mukherjee

Retrieving gene functional networks from knowledge databases presents a challenge due to the mismatch between disease networks and subtype-specific variations. Current solutions, including statistical and deep learning methods, often fail…

Machine Learning · Computer Science 2025-02-25 Ziwei Yang , Zheng Chen , Xin Liu , Rikuto Kotoge , Peng Chen , Yasuko Matsubara , Yasushi Sakurai , Jimeng Sun

The metabolic network of a living cell involves several hundreds or thousands of interconnected biochemical reactions. Previous research has shown that under realistic conditions only a fraction of these reactions is concurrently active in…

Molecular Networks · Quantitative Biology 2012-06-06 Joo Sang Lee , Takashi Nishikawa , Adilson E. Motter

In this paper, we develop a graphical modeling framework for the inference of networks across multiple sample groups and data types. In medical studies, this setting arises whenever a set of subjects, which may be heterogeneous due to…

The vast majority of network datasets contains errors and omissions, although this is rarely incorporated in traditional network analysis. Recently, an increasing effort has been made to fill this methodological gap by developing network…

Social and Information Networks · Computer Science 2018-10-19 Tiago P. Peixoto

The nuclear reaction network is usually studied via precise calculation of differential equation sets, and much research interest has been focused on the characteristics of nuclides, such as half-life and size limit. In this paper, however,…

Nuclear Theory · Physics 2016-08-30 Liang Zhu , Yu-Gang Ma , Qu Chen , Ding-Ding Han

Network inference has been extensively studied in several fields, such as systems biology and social sciences. Learning network topology and internal dynamics is essential to understand mechanisms of complex systems. In particular, sparse…

Machine Learning · Statistics 2022-06-13 Yasen Wang , Junyang Jin , Jorge Goncalves

Network science provides valuable insights across numerous disciplines including sociology, biology, neuroscience and engineering. A task of major practical importance in these application domains is inferring the network structure from…

Machine Learning · Computer Science 2019-05-01 Vassilis N. Ioannidis , Yanning Shen , Georgios B. Giannakis

Topology inference is a powerful tool to better understand the behaviours of network systems (NSs). Different from most of prior works, this paper is dedicated to inferring the directed topology of NSs from noisy observations, where the…

Systems and Control · Electrical Eng. & Systems 2025-09-03 Qing Jiao , Yushan Li , Jianping He

Rapid advances in high-throughput technologies have led to considerable interest in analyzing genome-scale data in the context of biological pathways, with the goal of identifying functional systems that are involved in a given phenotype.…

Quantitative Methods · Quantitative Biology 2015-06-01 Rosemary Braun , Sahil Shah

A vulnerability scan combined with information about a computer network can be used to create an attack graph, a model of how the elements of a network could be used in an attack to reach specific states or goals in the network. These…

Cryptography and Security · Computer Science 2021-03-19 Isaac Matthews , Sadegh Soudjani , Aad van Moorsel