arXiv:2606.01595v1 Announce Type: new Abstract: Bayesian inference provides a principled framework for modeling epistemic uncertainty in neural networks by treating predictions as distributions rather than deterministic values. Meanwhile, diffusion-based models for 3D molecular graph generation operate on fragile geometric structures governed by strict chemical constraints, making inference highly sensitive to uncertainty miscalibration. A largely overlooked issue is that epistemic uncertainty arising from the learned denoiser interacts with the aleatoric uncertainty intentionally injected dur
Source: arXiv cs.LG — read the full report at the original publisher.