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cs.LG2026
OxiGen: Oxidation-State-Aware Crystal Generation
Dylan John, Kim E. Jelfs, Alex M. Ganose +1
Generative models have the potential to accelerate inorganic materials discovery by enabling inverse design, but generating experimentally realisable crystals remains challenging.…
cs.LG2025
Right for the Right Reasons: Avoiding Reasoning Shortcuts via Prototypical Neurosymbolic AI
Luca Andolfi, Eleonora Giunchiglia
Neurosymbolic AI is growing in popularity thanks to its ability to combine neural perception and symbolic reasoning in end-to-end trainable models. However, recent findings reveal…