cs.AI updates on arXiv.org 07月22日 12:44
BARNN: A Bayesian Autoregressive and Recurrent Neural Network
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本文介绍了一种名为BARNN的贝叶斯自回归和循环神经网络,旨在解决自回归和循环网络在处理不确定性时的不足。通过引入变分dropout方法和tVAMP-prior,BARNN在PDE建模和分子生成等领域的表现优于现有方法,尤其在不确定性量化和建模长距离依赖方面表现突出。

arXiv:2501.18665v2 Announce Type: replace-cross Abstract: Autoregressive and recurrent networks have achieved remarkable progress across various fields, from weather forecasting to molecular generation and Large Language Models. Despite their strong predictive capabilities, these models lack a rigorous framework for addressing uncertainty, which is key in scientific applications such as PDE solving, molecular generation and Machine Learning Force Fields. To address this shortcoming we present BARNN: a variational Bayesian Autoregressive and Recurrent Neural Network. BARNNs aim to provide a principled way to turn any autoregressive or recurrent model into its Bayesian version. BARNN is based on the variational dropout method, allowing to apply it to large recurrent neural networks as well. We also introduce a temporal version of the "Variational Mixtures of Posteriors" prior (tVAMP-prior) to make Bayesian inference efficient and well-calibrated. Extensive experiments on PDE modelling and molecular generation demonstrate that BARNN not only achieves comparable or superior accuracy compared to existing methods, but also excels in uncertainty quantification and modelling long-range dependencies.

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BARNN 贝叶斯自回归神经网络 不确定性量化 PDE建模 分子生成
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