Distribution Learning for Molecular Regression
Published in arXiv preprint arXiv:2407.20475, 2024
Citation: Nima Shoghi, Pooya Shoghi, Anuroop Sriram, Abhishek Das, arXiv preprint arXiv:2407.20475, 2024. https://arxiv.org/abs/2407.20475
Introduces a novel approach called Distributional Mixture of Experts (DMoE) for molecular property prediction that improves accuracy by training models to predict probability distributions rather than single values, demonstrating significant performance gains across multiple datasets and model architectures.