arXiv AI By Alessio Barboni, Massimiliano Lupo Pasini, Bishal Lakha, Edoardo Serra

Scaling Novel Graph Generation via Lightweight Structure-Guided Autoregressive Models

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arXiv:2606. 04287v1 Announce Type: cross Abstract: Generating realistic and diverse graphs is a key problem in machine learning, with applications in molecular discovery, circuit design, cybersecurity, and beyond.

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arXiv Machine Learning
Jul 13

Autoregressive latent diffusion for 3D molecule generation

arXiv:2607. 09277v1 Announce Type: new Abstract: Three-dimensional (3D) molecule generation has been dominated by diffusion models, which achieve strong generation quality but typically require the molecular size to be specified a priori.

By Federico Ottomano, Gaopeng Ren, Yingzhen Li, Kim E. Jelfs, Alex M. Ganose