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This research introduces "parallel noising," a novel training algorithm inspired by parallel-tempering Markov chain Monte Carlo methods, which significantly boosts the performance of Neural Markov Logic Networks (NMLNs) in graph generation tasks. By enhancing expressive capacity with graph neural networks and refining inference techniques, the study bridges the gap between neurosymbolic models and diffusion-based approaches for larger relational structures. The work demonstrates that these improvements allow NMLNs to effectively generate complex molecular graphs while maintaining strong performance on smaller scales compared to specialized recurrent text models.
Sources coveringarXiv, Quantum Computing Report
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Parallel Noising in Neural Markov Logic Networks

arXiv2 min read

arXiv:2607.19126v1 Announce Type: cross Abstract: Neural Markov Logic Networks (NMLNs) are a flexible neurosymbolic relational model. Previous work has shown that, although NMLNs achieve strong performance as generative models for small relational structures, they underperform diffusion-based generative graph models on larger structures. In this paper, we strengthen NMLNs along two main dimensions: (i) we increase the expressive capacity of their potential functions using graph neural networks, and (ii) we develop a new training and inference algorithm inspired by parallel-tempering Markov chain Monte Carlo methods, which we name parallel noising. Together, these enhancements enable NMLNs to attain strong performance in graph generation relative to general diffusion-based generative graph models. Furthermore, they allow NMLNs to match the performance of specialized text-based recurrent models when generating small molecular structures.

Abstract:Neural Markov Logic Networks (NMLNs) are a flexible neurosymbolic relational model. Previous work has shown that, although NMLNs achieve strong performance as generative models for small relational structures, they underperform diffusion-based generative graph models on larger structures. In this paper, we strengthen NMLNs along two main dimensions: (i) we increase the expressive capacity of their potential functions using graph neural networks, and (ii) we develop a new training and inference algorithm inspired by parallel-tempering Markov chain Monte Carlo methods, which we name parallel noising. Together, these enhancements enable NMLNs to attain strong performance in graph generation relative to general diffusion-based generative graph models. Furthermore, they allow NMLNs to match the performance of specialized text-based recurrent models when generating small molecular structures.

Machine Learning (cs.LG); Artificial Intelligence (cs.AI)

arXiv:2607.19126 [cs.LG]

(or arXiv:2607.19126v1 [cs.LG] for this version)

https://doi.org/10.48550/arXiv.2607.19126 Focus to learn more arXiv-issued DOI via DataCite (pending registration)

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Full text under the publisher's open licence · 218 words

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