Machine learning: an advanced platform for materials development and state prediction in lithium‐ion batteries

C Lv, X Zhou, L Zhong, C Yan, M Srinivasan… - Advanced …, 2022 - Wiley Online Library
Lithium‐ion batteries (LIBs) are vital energy‐storage devices in modern society. However,
the performance and cost are still not satisfactory in terms of energy density, power density …

Probabilistic numerics and uncertainty in computations

P Hennig, MA Osborne… - Proceedings of the …, 2015 - royalsocietypublishing.org
We deliver a call to arms for probabilistic numerical methods: algorithms for numerical tasks,
including linear algebra, integration, optimization and solving differential equations, that …

Application of DFT-based machine learning for develo** molecular electrode materials in Li-ion batteries

O Allam, BW Cho, KC Kim, SS Jang - RSC advances, 2018 - pubs.rsc.org
In this study, we utilize a density functional theory-machine learning framework to develop a
high-throughput screening method for designing new molecular electrode materials. For this …

Bayesian probabilistic numerical methods

J Cockayne, CJ Oates, TJ Sullivan, M Girolami - SIAM review, 2019 - SIAM
Over forty years ago average-case error was proposed in the applied mathematics literature
as an alternative criterion with which to assess numerical methods. In contrast to worst-case …

[HTML][HTML] Electroencephalogram emotion recognition via auc maximization

M **ao, S Bo - Algorithms, 2024 - mdpi.com
Imbalanced datasets pose significant challenges in areas including neuroscience, cognitive
science, and medical diagnostics, where accurately detecting minority classes is essential …

Asymptotic and finite-sample properties of estimators based on stochastic gradients

P Toulis, EM Airoldi - 2017 - projecteuclid.org
Supplement to “Asymptotic and finite-sample properties of estimators based on stochastic
gradients”. The proofs of all technical results are provided in an online supplement [Toulis …

Linearly constrained Gaussian processes

C Jidling, N Wahlström, A Wills… - Advances in neural …, 2017 - proceedings.neurips.cc
We consider a modification of the covariance function in Gaussian processes to correctly
account for known linear constraints. By modelling the target function as a transformation of …

Active learning of linear embeddings for Gaussian processes

R Garnett, MA Osborne, P Hennig - arxiv preprint arxiv:1310.6740, 2013 - arxiv.org
We propose an active learning method for discovering low-dimensional structure in high-
dimensional Gaussian process (GP) tasks. Such problems are increasingly frequent and …

Probabilistic ODE solvers with Runge-Kutta means

M Schober, DK Duvenaud… - Advances in neural …, 2014 - proceedings.neurips.cc
Runge-Kutta methods are the classic family of solvers for ordinary differential equations
(ODEs), and the basis for the state of the art. Like most numerical methods, they return point …

A modern retrospective on probabilistic numerics

CJ Oates, TJ Sullivan - Statistics and computing, 2019 - Springer
This article attempts to place the emergence of probabilistic numerics as a mathematical–
statistical research field within its historical context and to explore how its gradual …