QuML @ Aalto
QuML @ Aalto
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Equivariant Denoisers Cannot Copy Graphs: Align Your Graph Diffusion Models
We show that standard permutation equivariant denoisers cause severe limitations on such tasks, a problem that we pinpoint to their inability to break symmetries present in the noisy inputs.
Najwa Laabid (*)
,
Severi Rissanen (*)
,
Markus Heinonen
,
Arno Solin
,
Vikas Garg
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AbODE: Ab initio Antibody Design using Conjoined ODEs
we propose a generative model for antibody design using conjoined interacting neural ODEs
Yogesh Verma
,
Markus Heinonen
,
Vikas Garg
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Modular Flows: Differential Molecular Generation
We propose generative graph normalizing flow models, based on a system of coupled node ODEs, that repeatedly reconcile locally toward globally aligned densities for high quality molecular generation.
Yogesh Verma
,
Markus Heinonen
,
Samuel Kaski
,
Vikas Garg
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Provably expressive temporal graph networks
We analyze the representational power and limits of modern models for (event-based) temporal graphs. We leverage our theoretical insights to introduce an architecture that is provably more expressive than existing ones.
Amauri Souza
,
Diego Mesquita
,
Samuel Kaski
,
Vikas Garg
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Symmetry-induced Disentanglement on Graphs
A new formalism for disentanglement on graphs.
Giangiacomo Mercatali
,
Andre Freitas
,
Vikas Garg
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