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Transformers have increasingly become the de facto method to model sequential data with state-of-the-art performance. Due to its widespread use, being able to estimate and calibrate its modeling uncertainty is important to understand and…

Machine Learning · Computer Science 2025-03-03 Long Minh Bui , Tho Tran Huu , Duy Dinh , Tan Minh Nguyen , Trong Nghia Hoang

While the great capability of Transformers significantly boosts prediction accuracy, it could also yield overconfident predictions and require calibrated uncertainty estimation, which can be commonly tackled by Gaussian processes (GPs).…

Machine Learning · Computer Science 2024-05-29 Yingyi Chen , Qinghua Tao , Francesco Tonin , Johan A. K. Suykens

We consider the problem of calibrating an imperfect computer model using experimental data. To compensate the misspecification of the computer model and make more accurate predictions, a discrepancy function is often included and modeled…

Methodology · Statistics 2018-05-04 Mengyang Gu , Long Wang

Transformers are the mainstream of NLP applications and are becoming increasingly popular in other domains such as Computer Vision. Despite the improvements in model quality, the enormous computation costs make Transformers difficult at…

Machine Learning · Computer Science 2021-10-22 Liu Liu , Zheng Qu , Zhaodong Chen , Yufei Ding , Yuan Xie

Gaussian processes are a flexible Bayesian nonparametric modelling approach that has been widely applied but poses computational challenges. To address the poor scaling of exact inference methods, approximation methods based on sparse…

Machine Learning · Statistics 2021-06-01 Rui Meng , Herbert Lee , Soper Braden , Priyadip Ray

Self-attention in Transformers is typically implemented as $\mathrm{softmax}(QK^\top/\sqrt{d})V$, where $Q=XW_Q$, $K=XW_K$, and $V=XW_V$ are learned linear projections of the input $X$. We ask whether these learned projections are…

Machine Learning · Computer Science 2026-05-05 Debarshi Kundu , Archisman Ghosh , Swaroop Ghosh , Vasant Honavar

Model calibration or data inversion is one of fundamental tasks in uncertainty quantification. In this work, we study the theoretical properties of the scaled Gaussian stochastic process (S-GaSP), to model the discrepancy between reality…

Statistics Theory · Mathematics 2020-08-04 Mengyang Gu , Fangzheng Xie , Long Wang

Neural Processes (NPs) are a rapidly evolving class of models designed to directly model the posterior predictive distribution of stochastic processes. While early architectures were developed primarily as a scalable alternative to Gaussian…

We propose a novel sparse spectrum approximation of Gaussian process (GP) tailored for Bayesian optimization. Whilst the current sparse spectrum methods provide desired approximations for regression problems, it is observed that this…

Machine Learning · Computer Science 2020-06-09 Ang Yang , Cheng Li , Santu Rana , Sunil Gupta , Svetha Venkatesh

We introduce a new scalable approximation for Gaussian processes with provable guarantees which hold simultaneously over its entire parameter space. Our approximation is obtained from an improved sample complexity analysis for sparse…

Machine Learning · Computer Science 2020-11-18 Quang Minh Hoang , Trong Nghia Hoang , Hai Pham , David P. Woodruff

Making predictions and quantifying their uncertainty when the input data is sequential is a fundamental learning challenge, recently attracting increasing attention. We develop SigGPDE, a new scalable sparse variational inference framework…

Machine Learning · Statistics 2021-10-13 Maud Lemercier , Cristopher Salvi , Thomas Cass , Edwin V. Bonilla , Theodoros Damoulas , Terry Lyons

Gaussian processes (GPs) provide a principled Bayesian framework for uncertainty estimation, but their computational complexity severely limits scalability to large datasets. We propose SIKA-GP, which accelerates GP inference using sparse…

Machine Learning · Computer Science 2026-05-27 Wenyuan Zhao , Rui Tuo , Chao Tian

Transformers are considered one of the most important deep learning models since 2018, in part because it establishes state-of-the-art (SOTA) records and could potentially replace existing Deep Neural Networks (DNNs). Despite the remarkable…

Machine Learning · Computer Science 2022-08-23 Hongwu Peng , Shaoyi Huang , Shiyang Chen , Bingbing Li , Tong Geng , Ang Li , Weiwen Jiang , Wujie Wen , Jinbo Bi , Hang Liu , Caiwen Ding

Gaussian processes are notorious for scaling cubically with the size of the training set, preventing application to very large regression problems. Computation-aware Gaussian processes (CAGPs) tackle this scaling issue by exploiting…

Machine Learning · Statistics 2025-03-24 Disha Hegde , Mohamed Adil , Jon Cockayne

Gaussian processes (GPs) have gained popularity as flexible machine learning models for regression and function approximation with an in-built method for uncertainty quantification. However, GPs suffer when the amount of training data is…

Machine Learning · Statistics 2025-11-26 Jonas Latz , Aretha L. Teckentrup , Simon Urbainczyk

Large, multi-dimensional spatio-temporal datasets are omnipresent in modern science and engineering. An effective framework for handling such data are Gaussian process deep generative models (GP-DGMs), which employ GP priors over the latent…

Machine Learning · Statistics 2020-10-26 Matthew Ashman , Jonathan So , Will Tebbutt , Vincent Fortuin , Michael Pearce , Richard E. Turner

While Gaussian processes are a mainstay for various engineering and scientific applications, the uncertainty estimates don't satisfy frequentist guarantees and can be miscalibrated in practice. State-of-the-art approaches for designing…

Machine Learning · Computer Science 2023-11-20 Alexandre Capone , Geoff Pleiss , Sandra Hirche

Sparse identification of differential equations aims to compute the analytic expressions from the observed data explicitly. However, there exist two primary challenges. Firstly, it exhibits sensitivity to the noise in the observed data,…

Numerical Analysis · Mathematics 2024-01-23 Yuhuang Meng , Yue Qiu

Compressed Neural Networks have the potential to enable deep learning across new applications and smaller computational environments. However, understanding the range of learning tasks in which such models can succeed is not well studied.…

Machine Learning · Computer Science 2023-08-10 Matt Gorbett , Hossein Shirazi , Indrakshi Ray

Attention-based Transformers have revolutionized natural language processing (NLP) and shown strong performance in computer vision (CV) tasks. However, as the input sequence varies, the computational bottlenecks in Transformer models…

Machine Learning · Computer Science 2025-12-10 Huizheng Wang , Hongbin Wang , Shaojun Wei , Yang Hu , Shouyi Yin
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