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Probabilistic neural networks are typically modeled with independent weight priors, which do not capture weight correlations in the prior and do not provide a parsimonious interface to express properties in function space. A desirable class…

机器学习 · 统计学 2020-02-12 Theofanis Karaletsos , Thang D. Bui

Bayesian neural networks (BNNs) have developed into useful tools for probabilistic modelling due to recent advances in variational inference enabling large scale BNNs. However, BNNs remain brittle and hard to train, especially: (1) when…

机器学习 · 计算机科学 2019-10-24 Felix McGregor , Arnu Pretorius , Johan du Preez , Steve Kroon

In modern applications such as ECG monitoring, neuroimaging, wearable sensing, and industrial equipment diagnostics, complex and continuously structured data are ubiquitous, presenting both challenges and opportunities for functional data…

机器学习 · 计算机科学 2026-03-03 Xiaoxian Zhu , Yingmeng Li , Shuangge Ma , Mengyun Wu

Reliable predictive uncertainty estimation plays an important role in enabling the deployment of neural networks to safety-critical settings. A popular approach for estimating the predictive uncertainty of neural networks is to define a…

机器学习 · 统计学 2023-12-29 Tim G. J. Rudner , Zonghao Chen , Yee Whye Teh , Yarin Gal

While Bayesian neural networks (BNNs) have drawn increasing attention, their posterior inference remains challenging, due to the high-dimensional and over-parameterized nature. To address this issue, several highly flexible and scalable…

机器学习 · 统计学 2019-05-10 Ziyu Wang , Tongzheng Ren , Jun Zhu , Bo Zhang

Specifying a Bayesian prior is notoriously difficult for complex models such as neural networks. Reasoning about parameters is made challenging by the high-dimensionality and over-parameterization of the space. Priors that seem benign and…

机器学习 · 统计学 2020-10-22 Eric Nalisnick , Jonathan Gordon , José Miguel Hernández-Lobato

Neural networks have achieved remarkable performance across various problem domains, but their widespread applicability is hindered by inherent limitations such as overconfidence in predictions, lack of interpretability, and vulnerability…

机器学习 · 统计学 2023-09-29 Julyan Arbel , Konstantinos Pitas , Mariia Vladimirova , Vincent Fortuin

Physics-informed neural networks (PINNs) provide a mesh-free framework for solving PDE-constrained inverse problems, but their extension to Bayesian inversion still faces a fundamental difficulty: prior distributions are typically defined…

地球物理 · 物理学 2026-05-15 Ryoichiro Agata , Tomohisa Okazaki

Bayesian inference for neural networks, or Bayesian deep learning, has the potential to provide well-calibrated predictions with quantified uncertainty and robustness. However, the main hurdle for Bayesian deep learning is its computational…

机器学习 · 统计学 2023-09-07 Sanket Jantre , Nathan M. Urban , Xiaoning Qian , Byung-Jun Yoon

We propose a new class of Bayesian neural networks (BNNs) that can be trained using noisy data of variable fidelity, and we apply them to learn function approximations as well as to solve inverse problems based on partial differential…

机器学习 · 计算机科学 2021-06-02 Xuhui Meng , Hessam Babaee , George Em Karniadakis

Variational Bayesian neural networks (BNNs) perform variational inference over weights, but it is difficult to specify meaningful priors and approximate posteriors in a high-dimensional weight space. We introduce functional variational…

机器学习 · 计算机科学 2019-03-15 Shengyang Sun , Guodong Zhang , Jiaxin Shi , Roger Grosse

Prior-Data Fitted Networks (PFNs) enable amortized Bayesian inference in a single forward pass, yet their internal representations remain opaque. It is unknown whether PFNs encode identifiable Bayesian structure or merely memorize…

机器学习 · 计算机科学 2026-05-14 Kaustubh Sharma , Srijan Tiwari , Ojasva Nema , Parikshit Pareek

Active learning, an iterative process of selecting the most informative data points for exploration, is crucial for efficient characterization of materials and chemicals property space. Neural networks excel at predicting these properties…

无序系统与神经网络 · 物理学 2025-06-02 Sarah I. Allec , Maxim Ziatdinov

Prior-Fitted Networks (PFNs) have recently been proposed to efficiently perform tabular classification tasks. Although they achieve good performance on small datasets, they encounter limitations with larger datasets. These limitations…

机器学习 · 计算机科学 2025-03-04 Yuxin Wang , Botian Jiang , Yiran Guo , Quan Gan , David Wipf , Xuanjing Huang , Xipeng Qiu

In the literature on deep neural networks, there is considerable interest in developing activation functions that can enhance neural network performance. In recent years, there has been renewed scientific interest in proposing activation…

机器学习 · 计算机科学 2023-04-20 Mohamed Fakhfakh , Lotfi Chaari

The scope of research in the domain of activation functions remains limited and centered around improving the ease of optimization or generalization quality of neural networks (NNs). However, to develop a deeper understanding of deep…

机器学习 · 计算机科学 2020-12-10 Mohit Goyal , Rajan Goyal , Brejesh Lall

Bayesian Neural Networks (BNNs) provide a probabilistic interpretation for deep learning models by imposing a prior distribution over model parameters and inferring a posterior distribution based on observed data. The model sampled from the…

机器学习 · 计算机科学 2023-11-15 Van-Anh Nguyen , Tung-Long Vuong , Hoang Phan , Thanh-Toan Do , Dinh Phung , Trung Le

A pivotal aspect in the design of neural networks lies in selecting activation functions, crucial for introducing nonlinear structures that capture intricate input-output patterns. While the effectiveness of adaptive or trainable activation…

The activation function deployed in a deep neural network has great influence on the performance of the network at initialisation, which in turn has implications for training. In this paper we study how to avoid two problems at…

机器学习 · 计算机科学 2021-05-18 Michael Murray , Vinayak Abrol , Jared Tanner

Active learning methods for neural networks are usually based on greedy criteria which ultimately give a single new design point for the evaluation. Such an approach requires either some heuristics to sample a batch of design points at one…

机器学习 · 计算机科学 2020-01-28 Evgenii Tsymbalov , Sergei Makarychev , Alexander Shapeev , Maxim Panov