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Mixed-Integer Optimisation of Graph Neural Networks for Computer-Aided
  Molecular Design

Mixed-Integer Optimisation of Graph Neural Networks for Computer-Aided Molecular Design

2 December 2023
Tom McDonald
Calvin Tsay
Artur M. Schweidtmann
Neil Yorke-Smith
ArXivPDFHTML

Papers citing "Mixed-Integer Optimisation of Graph Neural Networks for Computer-Aided Molecular Design"

3 / 3 papers shown
Title
When Deep Learning Meets Polyhedral Theory: A Survey
When Deep Learning Meets Polyhedral Theory: A Survey
Joey Huchette
Gonzalo Muñoz
Thiago Serra
Calvin Tsay
AI4CE
84
32
0
29 Apr 2023
Modeling the AC Power Flow Equations with Optimally Compact Neural
  Networks: Application to Unit Commitment
Modeling the AC Power Flow Equations with Optimally Compact Neural Networks: Application to Unit Commitment
Alyssa Kody
Samuel C. Chevalier
Spyros Chatzivasileiadis
Daniel Molzahn
48
37
0
21 Oct 2021
Geometric deep learning on graphs and manifolds using mixture model CNNs
Geometric deep learning on graphs and manifolds using mixture model CNNs
Federico Monti
Davide Boscaini
Jonathan Masci
Emanuele Rodolà
Jan Svoboda
M. Bronstein
GNN
231
1,801
0
25 Nov 2016
1