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04/27/2023
Molecular Design Based on Integer Programming and Splitting Data Sets by Hyperplanes
A novel framework for designing the molecular structure of chemical comp...
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12/21/2021
On the Size and Width of the Decoder of a Boolean Threshold Autoencoder
In this paper, we study the size and width of autoencoders consisting of...
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08/23/2021
Molecular Design Based on Artificial Neural Networks, Integer Programming and Grid Neighbor Search
A novel framework has recently been proposed for designing the molecular...
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07/06/2021
An Inverse QSAR Method Based on Linear Regression and Integer Programming
Recently a novel framework has been proposed for designing the molecular...
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05/11/2021
Tree Edit Distance with Variables. Measuring the Similarity between Mathematical Formulas
In this article, we propose tree edit distance with variables, which is ...
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09/29/2020
A novel method for inference of chemical compounds with prescribed topological substructures based on integer programming
Analysis of chemical graphs is becoming a major research topic in comput...
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09/28/2020
Discrimination of attractors with noisy nodes in Boolean networks
Observing the internal state of the whole system using a small number of...
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09/21/2020
A Novel Method for Inference of Acyclic Chemical Compounds with Bounded Branch-height Based on Artificial Neural Networks and Integer Programming
Analysis of chemical graphs is a major research topic in computational m...
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04/21/2020
On the Compressive Power of Boolean Threshold Autoencoders
An autoencoder is a layered neural network whose structure can be viewed...
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04/18/2020
Enumerating Chemical Graphs with Two Disjoint Cycles Satisfying Given Path Frequency Specifications
Enumerating chemical graphs satisfying given constraints is a fundamenta...
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04/14/2020
Enumerating Chemical Graphs with Mono-block 2-Augmented Tree Structure from Given Upper and Lower Bounds on Path Frequencies
We consider a problem of enumerating chemical graphs from given constrai...
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12/15/2017