Matteo Ninniri

dblp:366/0735 · DBLP profile ↗
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2ranked-venue papers
2as first author
2since 2021 · last 2025
—ORCID · none

Domains — the database's venue-derived domains; a paper can count in several

Artificial intelligence and machine learning · 2 · 2 first-author · 2 since 2021Databases, data management, data science and information retrieval · 1 · 1 first-author · 1 since 2021

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Artificial intelligence
1 paper
Generative modeling · 91% Graph learning · 9%

Topics — the 4 heaviest of 4, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Machine learning › Generative modeling
diffusion model
0.912025
Graph Diffusion that can Insert and Delete · NeurIPS 2025
Machine learning › Generative modeling › diffusion model
graph diffusion model
0.912025
Graph Diffusion that can Insert and Delete · NeurIPS 2025
Machine learning › Generative modeling
molecular generation
0.912025
Graph Diffusion that can Insert and Delete · NeurIPS 2025
Machine learning › Graph learning › molecular representation learning › molecular graph learning
molecular property prediction
0.312025
Graph Diffusion that can Insert and Delete · NeurIPS 2025

Methods — techniques the papers use, named apart from their topics

denoising diffusion probabilistic model · 0.9
YearPublicationVenuePosition
2025 Graph Diffusion that can Insert and Delete
abstract
Generative models of graphs based on discrete Denoising Diffusion Probabilistic Models (DDPMs) offer a principled approach to molecular generation by systematically removing structural noise through iterative atom and bond adjustments. However, existing formulations are fundamentally limited by their inability to adapt the graph size (that is, the number of atoms) during the diffusion process, severely restricting their effectiveness in conditional generation scenarios such as property-driven molecular design, where the targeted property often correlates with the molecular size. In this paper, we reformulate the noising and denoising processes to support monotonic insertion and deletion of nodes. The resulting model, which we call GrIDDD, dynamically grows or shrinks the chemical graph during generation. GrIDDD matches or exceeds the performance of existing graph diffusion models on molecular property targeting despite being trained on a more difficult problem. Furthermore, when applied to molecular optimization, GrIDDD exhibits competitive performance compared to specialized optimization models. This work paves the way for size-adaptive molecular generation with graph diffusion.
Matteo Ninniri, Marco Podda, Davide Bacciu
NeurIPS1
2024 Classifier-Free Graph Diffusion for Molecular Property Targeting
Matteo Ninniri, Marco Podda, Davide Bacciu
ECML/PKDD (4)1