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Both experimental and computational methods for the exploration of structure, functionality, and properties of materials often necessitate the search across broad parameter spaces to discover optimal experimental conditions and regions of…

Computational Physics · Physics 2021-08-31 Maxim Ziatdinov , Ayana Ghosh , Sergei V. Kalinin

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

Approximate Bayesian computation (ABC) methods are used to approximate posterior distributions using simulation rather than likelihood calculations. We introduce Gaussian process (GP) accelerated ABC, which we show can significantly reduce…

Computation · Statistics 2014-02-25 Richard D Wilkinson

Bayesian inference of nanohertz gravitational-wave background models in pulsar timing array analyses often relies on Gaussian-process interpolators to avoid repeated, computationally expensive strain-spectrum calculations. However,…

Cosmology and Nongalactic Astrophysics · Physics 2026-04-16 Shreyas Tiruvaskar , Chris Gordon

Considering a probability distribution over parameters is known as an efficient strategy to learn a neural network with non-differentiable activation functions. We study the expectation of a probabilistic neural network as a predictor by…

Machine Learning · Computer Science 2023-04-17 Louis Fortier-Dubois , Gaël Letarte , Benjamin Leblanc , François Laviolette , Pascal Germain

Deep Gaussian processes (DGPs) are popular surrogate models for complex nonstationary computer experiments. DGPs use one or more latent Gaussian processes (GPs) to warp the input space into a plausibly stationary regime, then use typical GP…

Methodology · Statistics 2025-12-23 Annie S. Booth

Uncertainty estimation in deep neural networks is essential for designing reliable and robust AI systems. Applications such as video surveillance for identifying suspicious activities are designed with deep neural networks (DNNs), but DNNs…

Neural and Evolutionary Computing · Computer Science 2018-12-04 Ranganath Krishnan , Mahesh Subedar , Omesh Tickoo

Activation functions critically influence trainability and expressivity, and recent work has therefore explored a broad range of nonlinearities. However, widely used Gaussian i.i.d. initializations are designed to preserve activation…

Machine Learning · Computer Science 2025-12-17 Hyunwoo Lee , Hayoung Choi , Hyunju Kim

Multivariate point processes are widely applied to model event-type data such as natural disasters, online message exchanges, financial transactions or neuronal spike trains. One very popular point process model in which the probability of…

Statistics Theory · Mathematics 2023-01-27 Deborah Sulem , Vincent Rivoirard , Judith Rousseau

We introduce Latent Gaussian Process Regression which is a latent variable extension allowing modelling of non-stationary multi-modal processes using GPs. The approach is built on extending the input space of a regression problem with a…

Machine Learning · Statistics 2017-09-19 Erik Bodin , Neill D. F. Campbell , Carl Henrik Ek

Two non-intrusive uncertainty propagation approaches are proposed for the performance analysis of engineering systems described by expensive-to-evaluate deterministic computer models with parameters defined as interval variables. These…

Signal Processing · Electrical Eng. & Systems 2022-02-15 Alice Cicirello , Filippo Giunta

Post-hoc explanation methods attempt to make the inner workings of deep neural networks more interpretable. However, since a ground truth is in general lacking, local post-hoc interpretability methods, which assign importance scores to…

Machine Learning · Computer Science 2023-11-27 Lennart Brocki , Neo Christopher Chung

In spite of the diverse literature on nonstationary spatial modeling and approximate Gaussian process (GP) methods, there are no general approaches for conducting fully Bayesian inference for moderately sized nonstationary spatial data sets…

Computation · Statistics 2020-07-01 Mark D. Risser , Daniel Turek

One major impediment to the wider use of deep learning for clinical decision making is the difficulty of assigning a level of confidence to model predictions. Currently, deep Bayesian neural networks and sparse Gaussian processes are the…

Predictive variability due to data ambiguities has typically been addressed via construction of dedicated models with built-in probabilistic capabilities that are trained to predict uncertainty estimates as variables of interest. These…

Machine Learning · Computer Science 2023-08-04 Katarína Tóthová , Ľubor Ladický , Daniel Thul , Marc Pollefeys , Ender Konukoglu

We introduce a novel uncertainty estimation for classification tasks for Bayesian convolutional neural networks with variational inference. By normalizing the output of a Softplus function in the final layer, we estimate aleatoric and…

Machine Learning · Computer Science 2019-05-15 Kumar Shridhar , Felix Laumann , Marcus Liwicki

Deep Gaussian processes (DGPs) upgrade ordinary GPs through functional composition, in which intermediate GP layers warp the original inputs, providing flexibility to model non-stationary dynamics. Two DGP regimes have emerged in recent…

Computation · Statistics 2022-08-16 Annie Sauer , Andrew Cooper , Robert B. Gramacy

Activity detection is an important task in the next generation grant-free multiple access. While there are a number of existing algorithms designed for this purpose, they mostly require precise information about the network, such as…

Machine Learning · Computer Science 2024-02-05 Hao Zhang , Qingfeng Lin , Yang Li , Lei Cheng , Yik-Chung Wu

We introduce a novel way to combine boosting with Gaussian process and mixed effects models. This allows for relaxing, first, the zero or linearity assumption for the prior mean function in Gaussian process and grouped random effects models…

Machine Learning · Computer Science 2024-11-06 Fabio Sigrist

As we move away from the data, the predictive uncertainty should increase, since a great variety of explanations are consistent with the little available information. We introduce Distance-Aware Prior (DAP) calibration, a method to correct…

Machine Learning · Statistics 2022-07-19 Gianluca Detommaso , Alberto Gasparin , Andrew Wilson , Cedric Archambeau