Bayesian neural networks (BNNs) have received an increased interest in the last years. In BNNs, a complete posterior distribution of the unknown weight and bias parameters of the network is produced during the training stage. This probabilistic estimation offers several advantages with respect to point-wise estimates, in particular, the ability to provide uncertainty quantification when predicting new data. This feature inherent to the Bayesian paradigm, is useful in countless machine learning applications. It is particularly appealing in areas where decision-making has a crucial impact, such as medical healthcare or autonomous driving. The main challenge of BNNs is the computational cost of the training procedure since Bayesian techniques often face a severe curse of dimensionality. Adaptive importance sampling (AIS) is one of the most prominent Monte Carlo methodologies benefiting from sounded convergence guarantees and ease for adaptation. This work aims to show that AIS constitutes a successful approach for designing BNNs. More precisely, we propose a novel algorithm PMCnet that includes an efficient adaptation mechanism, exploiting geometric information on the complex (often multimodal) posterior distribution. Numerical results illustrate the excellent performance and the improved exploration capabilities of the proposed method for both shallow and deep neural networks.
翻译:摘要:近年来,贝叶斯神经网络 (BNNs) 受到了越来越多的关注。在 BNNs 中,网络的未知权重和偏置参数在训练阶段产生完整的后验分布。这种概率估计相对于点估计提供了几个优点,特别是在预测新数据时能够提供不确定性量化。这与贝叶斯范式有关,很有用的机器学习应用领域则尤为引人关注,在决策有重要影响的领域特别有用,如医疗保健或自主驾驶。BNNs 的主要挑战在于训练程序的计算成本,因为贝叶斯技术经常面临严重的维度诅咒。自适应重要性采样 (AIS) 是最突出的 Monte Carlo 方法之一,它具有良好的收敛保证和适应的容易性。本文旨在表明 AIS 构成了设计 BNNs 的成功方法之一。更具体地说,我们提出了一种新算法,称为 PMCnet,包括一种有效的自适应机制,利用了复杂 (通常是多峰的) 后验分布的几何信息。数值结果说明了所提出方法在浅层和深层神经网络中具有优异的性能和改进的探索能力。