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20162025
most citedA Systematic Assessment of Deep Learning Models for Molecule Generation

5 citations · 11 across the 9 of their papers we have counts for

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14 papers · 1 filter

cs.LG2025

A Spectral Interpretation of Redundancy in a Graph Reservoir

Anna Bison, Alessandro Sperduti

Reservoir computing has been successfully applied to graphs as a preprocessing method to improve the training efficiency of Graph Neural Networks (GNNs). However, a common issue th…

cs.LG2025

Exact Computation of Any-Order Shapley Interactions for Graph Neural Networks

Maximilian Muschalik, Fabian Fumagalli, Paolo Frazzetto +5

Albeit the ubiquitous use of Graph Neural Networks (GNNs) in machine learning (ML) prediction tasks involving graph-structured data, their interpretability remains challenging. In…

cs.LG2024

IFH: a Diffusion Framework for Flexible Design of Graph Generative Models

Samuel Cognolato, Alessandro Sperduti, Luciano Serafini

Graph generative models can be classified into two prominent families: one-shot models, which generate a graph in one go, and sequential models, which generate a graph by successiv…

cs.LG2021

Simple Graph Convolutional Networks

Luca Pasa, Nicolò Navarin, Wolfgang Erb +1

Many neural networks for graphs are based on the graph convolution operator, proposed more than a decade ago. Since then, many alternative definitions have been proposed, that tend…

cs.LG2020

Short-Term Memory Optimization in Recurrent Neural Networks by Autoencoder-based Initialization

Antonio Carta, Alessandro Sperduti, Davide Bacciu

Training RNNs to learn long-term dependencies is difficult due to vanishing gradients. We explore an alternative solution based on explicit memorization using linear autoencoders f…

cs.LG2020

Conditional Constrained Graph Variational Autoencoders for Molecule Design

Davide Rigoni, Nicolò Navarin, Alessandro Sperduti

In recent years, deep generative models for graphs have been used to generate new molecules. These models have produced good results, leading to several proposals in the literature…