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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…

Machine Learning · Statistics 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Statistics 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…

Machine Learning · Statistics 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…

Machine Learning · Statistics 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…

Machine Learning · Statistics 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…

Geophysics · Physics 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…

Machine Learning · Statistics 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Disordered Systems and Neural Networks · Physics 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 2024-08-06 Farhad Pourkamali-Anaraki , Tahamina Nasrin , Robert E. Jensen , Amy M. Peterson , Christopher J. Hansen

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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 2020-01-28 Evgenii Tsymbalov , Sergei Makarychev , Alexander Shapeev , Maxim Panov