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Graph Neural Networks (GNNs), a generalization of neural networks to graph-structured data, are often implemented using message passes between entities of a graph. While GNNs are effective for node classification, link prediction and graph…

Machine Learning · Statistics 2020-10-01 Uday Shankar Shanthamallu , Jayaraman J. Thiagarajan , Andreas Spanias

Neural network realizes multi-parameter optimization and control by simulating certain mechanisms of the human brain. It can be used in many fields such as signal processing, intelligent driving, optimal combination, vehicle abnormality…

Neural and Evolutionary Computing · Computer Science 2020-11-11 Yu Qi , Zhaolan Zheng

Gene expression can be used to subtype breast cancer with improved prediction of risk of recurrence and treatment responsiveness over that obtained using routine immunohistochemistry (IHC). However, in the clinic, molecular profiling is…

Computer Vision and Pattern Recognition · Computer Science 2023-05-09 Raktim Kumar Mondol , Ewan K. A. Millar , Peter H Graham , Lois Browne , Arcot Sowmya , Erik Meijering

The rise of social networks has not only facilitated communication but also allowed the spread of harmful content. Although significant advances have been made in detecting toxic language in textual data, the exploration of concept-based…

Computation and Language · Computer Science 2025-12-16 Samarth Garg , Divya Singh , Deeksha Varshney , Mamta

Neural networks are successfully used in a variety of applications, many of them having safety and security concerns. As a result researchers have proposed formal verification techniques for verifying neural network properties. While…

Cryptography and Security · Computer Science 2022-05-10 Youcheng Sun , Muhammad Usman , Divya Gopinath , Corina S. Păsăreanu

Deep neural networks (DNNs) are vulnerable to "backdoor" poisoning attacks, in which an adversary implants a secret trigger into an otherwise normally functioning model. Detection of backdoors in trained models without access to the…

Machine Learning · Computer Science 2021-03-19 Todd Huster , Emmanuel Ekwedike

The human brain is the central hub of the neurobiological system, controlling behavior and cognition in complex ways. Recent advances in neuroscience and neuroimaging analysis have shown a growing interest in the interactions between brain…

Neurons and Cognition · Quantitative Biology 2023-05-25 Yi Yang , Hejie Cui , Carl Yang

Motivation: Modules in gene coexpression networks (GCN) can be regarded as gene groups with individual relationships. No studies have optimized module detection methods to extract diverse gene groups from GCN, especially for data from…

Molecular Networks · Quantitative Biology 2021-12-07 Iori Azuma , Tadahaya Mizuno , Hiroyuki Kusuhara

Counterfactual prediction is a fundamental task in decision-making. G-computation is a method for estimating expected counterfactual outcomes under dynamic time-varying treatment strategies. Existing G-computation implementations have…

Machine Learning · Computer Science 2020-03-25 Rui Li , Zach Shahn , Jun Li , Mingyu Lu , Prithwish Chakraborty , Daby Sow , Mohamed Ghalwash , Li-wei H. Lehman

We investigate the properties of large random conservative chemical reaction networks composed of elementary reactions endowed with either mass-action or saturating kinetics, assigning kinetic parameters in a thermodynamically-consistent…

Molecular Networks · Quantitative Biology 2014-11-26 Erwan Bigan , Jean-Marc Steyaert , Stéphane Douady

We introduce KiNetX, a fully automated meta-algorithm for the kinetic analysis of complex chemical reaction networks derived from semi-accurate but efficient electronic structure calculations. It is designed to (i) accelerate the automated…

Chemical Physics · Physics 2019-01-11 Jonny Proppe , Markus Reiher

AI-based code generators have become pivotal in assisting developers in writing software starting from natural language (NL). However, they are trained on large amounts of data, often collected from unsanitized online sources (e.g., GitHub,…

Cryptography and Security · Computer Science 2024-02-12 Domenico Cotroneo , Cristina Improta , Pietro Liguori , Roberto Natella

We introduce a novel method for studying systematic trends in nuclear reaction data using generative adversarial networks. Libraries of nuclear cross section evaluations exhibit intricate systematic trends across the nuclear landscape, and…

Nuclear Theory · Physics 2024-05-01 Jordan M. R. Fox , Kyle A. Wendt

Gene set analysis, a popular approach for analyzing high-throughput gene expression data, aims to identify sets of related genes that show significantly enriched or depleted expression patterns between different conditions. In the last…

A method based on Bayesian neural networks and genetic algorithm is proposed to control the fermentation process. The relationship between input and output variables is modelled using Bayesian neural network that is trained using hybrid…

Computational Engineering, Finance, and Science · Computer Science 2007-05-23 Tshilidzi Marwala

Motivation. Cancer heterogeneity is observed at multiple biological levels. To improve our understanding of these differences and their relevance in medicine, approaches to link organ- and tissue-level information from diagnostic images and…

Quantitative Methods · Quantitative Biology 2020-05-19 Nova F. Smedley , Suzie El-Saden , William Hsu

Understanding gene regulation is a fundamental step towards understanding of how cells function and respond to environmental cues and perturbations. An important step in this direction is to infer the transcription factor-gene regulatory…

Molecular Networks · Quantitative Biology 2017-04-25 Yijie Wang , Dong-Yeon Cho , Hangnoh Lee , Justin Fear , Brian Oliver , Teresa M Przytycka

Predictive models in acute care settings must be able to immediately recognize precipitous changes in a patient's status when presented with data reflecting such changes. Recurrent neural networks (RNNs) have become common for training and…

Machine Learning · Computer Science 2020-07-30 David Ledbetter , Eugene Laksana , Melissa Aczon , Randall Wetzel

Graph neural network architectures are advantageous for predicting core-electron binding energies which depend on local bond environment effects, as the number of message passing layers defines the topological (bond) radius of the model's…

The evolution of digital communication systems and the designs of online platforms have inadvertently facilitated the subconscious propagation of toxic behavior. Giving rise to reactive responses to toxic behavior. Toxicity in online…

Computers and Society · Computer Science 2025-10-01 Smita Khapre , Melkamu Abay Mersha , Hassan Shakil , Jonali Baruah , Jugal Kalita
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